PubChemLite - 93823-67-7 (C23H33N3O3)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)OCC(=O)NCCNC(=O)C2=CC(NC2(C)C)(C)C)CC=C

InChI

InChI=1S/C23H33N3O3/c1-7-8-17-13-16(2)9-10-19(17)29-15-20(27)24-11-12-25-21(28)18-14-22(3,4)26-23(18,5)6/h7,9-10,13-14,26H,1,8,11-12,15H2,2-6H3,(H,24,27)(H,25,28)

InChIKey

KLOZRSYXWBUCLH-UHFFFAOYSA-N

Compound name

2,2,5,5-tetramethyl-N-[2-[[2-(4-methyl-2-prop-2-enylphenoxy)acetyl]amino]ethyl]-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]+	400.25948	196.3
[M+Na]+	422.24142	201.4
[M-H]-	398.24492	200.2
[M+NH4]+	417.28602	210.9
[M+K]+	438.21536	196.8
[M+H-H2O]+	382.24946	189.6
[M+HCOO]-	444.25040	215.5
[M+CH3COO]-	458.26605	227.5
[M+Na-2H]-	420.22687	195.0
[M]+	399.25165	198.4
[M]-	399.25275	198.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

400.25948

196.3

[M+Na]+

422.24142

201.4

[M-H]-

398.24492

200.2

[M+NH4]+

417.28602

210.9

[M+K]+

438.21536

196.8

[M+H-H2O]+

382.24946

189.6

[M+HCOO]-

444.25040

215.5

[M+CH3COO]-

458.26605

227.5

[M+Na-2H]-

420.22687

195.0

[M]+

399.25165

198.4

[M]-

399.25275

198.4

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

93823-67-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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