PubChemLite - 102132-41-2 (C23H38N4O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)NCCCNC(=O)C2CC(NC2(C)C)(C)C

InChI

InChI=1S/C23H38N4O2/c1-15-10-8-11-16(2)19(15)26-20(28)17(3)24-12-9-13-25-21(29)18-14-22(4,5)27-23(18,6)7/h8,10-11,17-18,24,27H,9,12-14H2,1-7H3,(H,25,29)(H,26,28)

InChIKey

YMQMAYUYGYQZIJ-UHFFFAOYSA-N

Compound name

N-[3-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]amino]propyl]-2,2,5,5-tetramethylpyrrolidine-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]+	403.30675	198.9
[M+Na]+	425.28869	201.8
[M-H]-	401.29219	202.4
[M+NH4]+	420.33329	213.1
[M+K]+	441.26263	198.2
[M+H-H2O]+	385.29673	192.4
[M+HCOO]-	447.29767	216.3
[M+CH3COO]-	461.31332	232.8
[M+Na-2H]-	423.27414	196.1
[M]+	402.29892	197.6
[M]-	402.30002	197.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

403.30675

198.9

[M+Na]+

425.28869

201.8

[M-H]-

401.29219

202.4

[M+NH4]+

420.33329

213.1

[M+K]+

441.26263

198.2

[M+H-H2O]+

385.29673

192.4

[M+HCOO]-

447.29767

216.3

[M+CH3COO]-

461.31332

232.8

[M+Na-2H]-

423.27414

196.1

[M]+

402.29892

197.6

[M]-

402.30002

197.6

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

102132-41-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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