PubChemLite - 93823-82-6 (C22H32ClN3O4)

Structural Information

Molecular Formula

SMILES

CC1(C=C(C(N1)(C)C)C(=O)NCC(CNC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)O)C

InChI

InChI=1S/C22H32ClN3O4/c1-20(2)11-17(21(3,4)26-20)18(28)24-12-15(27)13-25-19(29)22(5,6)30-16-9-7-14(23)8-10-16/h7-11,15,26-27H,12-13H2,1-6H3,(H,24,28)(H,25,29)

InChIKey

DAAGRSCQHIVWCM-UHFFFAOYSA-N

Compound name

N-[3-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-2-hydroxypropyl]-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]+	438.21541	201.6
[M+Na]+	460.19735	206.1
[M-H]-	436.20085	204.3
[M+NH4]+	455.24195	214.6
[M+K]+	476.17129	201.9
[M+H-H2O]+	420.20539	196.9
[M+HCOO]-	482.20633	212.7
[M+CH3COO]-	496.22198	228.8
[M+Na-2H]-	458.18280	201.3
[M]+	437.20758	204.4
[M]-	437.20868	204.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

438.21541

201.6

[M+Na]+

460.19735

206.1

[M-H]-

436.20085

204.3

[M+NH4]+

455.24195

214.6

[M+K]+

476.17129

201.9

[M+H-H2O]+

420.20539

196.9

[M+HCOO]-

482.20633

212.7

[M+CH3COO]-

496.22198

228.8

[M+Na-2H]-

458.18280

201.3

[M]+

437.20758

204.4

[M]-

437.20868

204.4

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

93823-82-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe