PubChemLite - 102131-54-4 (C24H37N3O4)

Structural Information

Molecular Formula

SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NCCCNC(=O)C2=CC(NC2(C)C)(C)C)OC

InChI

InChI=1S/C24H37N3O4/c1-7-9-17-10-11-19(20(14-17)30-6)31-16-21(28)25-12-8-13-26-22(29)18-15-23(2,3)27-24(18,4)5/h10-11,14-15,27H,7-9,12-13,16H2,1-6H3,(H,25,28)(H,26,29)

InChIKey

CEADQQISPVRJBU-UHFFFAOYSA-N

Compound name

N-[3-[[2-(2-methoxy-4-propylphenoxy)acetyl]amino]propyl]-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]+	432.28568	204.1
[M+Na]+	454.26762	208.2
[M-H]-	430.27112	207.7
[M+NH4]+	449.31222	217.3
[M+K]+	470.24156	204.8
[M+H-H2O]+	414.27566	197.0
[M+HCOO]-	476.27660	222.9
[M+CH3COO]-	490.29225	233.3
[M+Na-2H]-	452.25307	202.7
[M]+	431.27785	208.6
[M]-	431.27895	208.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

432.28568

204.1

[M+Na]+

454.26762

208.2

[M-H]-

430.27112

207.7

[M+NH4]+

449.31222

217.3

[M+K]+

470.24156

204.8

[M+H-H2O]+

414.27566

197.0

[M+HCOO]-

476.27660

222.9

[M+CH3COO]-

490.29225

233.3

[M+Na-2H]-

452.25307

202.7

[M]+

431.27785

208.6

[M]-

431.27895

208.6

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

102131-54-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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