PubChemLite - 1h-pyrrole-3-carboxamide, 2,5-dihydro-n-(2-(((2-methoxy-4-(1-propenyl)phenoxy)acetyl)amino)ethyl)-2,2,5,5-tetramethyl-, monohydrochloride (C23H33N3O4)

Structural Information

Molecular Formula

SMILES

C/C=C/C1=CC(=C(C=C1)OCC(=O)NCCNC(=O)C2=CC(NC2(C)C)(C)C)OC

InChI

InChI=1S/C23H33N3O4/c1-7-8-16-9-10-18(19(13-16)29-6)30-15-20(27)24-11-12-25-21(28)17-14-22(2,3)26-23(17,4)5/h7-10,13-14,26H,11-12,15H2,1-6H3,(H,24,27)(H,25,28)/b8-7+

InChIKey

UHGXMVUEPRJSKM-BQYQJAHWSA-N

Compound name

N-[2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	416.25438	199.1
[M+Na]+	438.23632	204.1
[M-H]-	414.23982	203.0
[M+NH4]+	433.28092	213.0
[M+K]+	454.21026	200.3
[M+H-H2O]+	398.24436	192.3
[M+HCOO]-	460.24530	218.5
[M+CH3COO]-	474.26095	229.1
[M+Na-2H]-	436.22177	198.2
[M]+	415.24655	202.6
[M]-	415.24765	202.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

416.25438

199.1

[M+Na]+

438.23632

204.1

[M-H]-

414.23982

203.0

[M+NH4]+

433.28092

213.0

[M+K]+

454.21026

200.3

[M+H-H2O]+

398.24436

192.3

[M+HCOO]-

460.24530

218.5

[M+CH3COO]-

474.26095

229.1

[M+Na-2H]-

436.22177

198.2

[M]+

415.24655

202.6

[M]-

415.24765

202.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1h-pyrrole-3-carboxamide, 2,5-dihydro-n-(2-(((2-methoxy-4-(1-propenyl)phenoxy)acetyl)amino)ethyl)-2,2,5,5-tetramethyl-, monohydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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