PubChemLite - 102132-23-0 (C23H36N4O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C)NCCCNC(=O)C2=CC(NC2(C)C)(C)C

InChI

InChI=1S/C23H36N4O2/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/h8,10-11,14,17,24,27H,9,12-13H2,1-7H3,(H,25,29)(H,26,28)

InChIKey

XRCGWFYMCSLKQC-UHFFFAOYSA-N

Compound name

N-[3-[[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]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]+	401.29108	198.1
[M+Na]+	423.27302	201.9
[M-H]-	399.27652	202.0
[M+NH4]+	418.31762	212.4
[M+K]+	439.24696	198.1
[M+H-H2O]+	383.28106	191.4
[M+HCOO]-	445.28200	216.9
[M+CH3COO]-	459.29765	232.4
[M+Na-2H]-	421.25847	196.1
[M]+	400.28325	198.1
[M]-	400.28435	198.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

401.29108

198.1

[M+Na]+

423.27302

201.9

[M-H]-

399.27652

202.0

[M+NH4]+

418.31762

212.4

[M+K]+

439.24696

198.1

[M+H-H2O]+

383.28106

191.4

[M+HCOO]-

445.28200

216.9

[M+CH3COO]-

459.29765

232.4

[M+Na-2H]-

421.25847

196.1

[M]+

400.28325

198.1

[M]-

400.28435

198.1

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

102132-23-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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