PubChemLite - Einecs 273-476-2 (C22H38N6O2)

Structural Information

Molecular Formula

SMILES

CC1CN(C(=N1)C)C(=O)NCC2(CC(CC(C2)(C)C)NC(=O)N3CC(N=C3C)C)C

InChI

InChI=1S/C22H38N6O2/c1-14-10-27(16(3)24-14)19(29)23-13-22(7)9-18(8-21(5,6)12-22)26-20(30)28-11-15(2)25-17(28)4/h14-15,18H,8-13H2,1-7H3,(H,23,29)(H,26,30)

InChIKey

AERVMEVXZLZSML-UHFFFAOYSA-N

Compound name

N-[[5-[(2,4-dimethyl-4,5-dihydroimidazole-1-carbonyl)amino]-1,3,3-trimethylcyclohexyl]methyl]-2,4-dimethyl-4,5-dihydroimidazole-1-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]+	419.31291	200.5
[M+Na]+	441.29485	205.3
[M-H]-	417.29835	205.5
[M+NH4]+	436.33945	213.0
[M+K]+	457.26879	202.1
[M+H-H2O]+	401.30289	192.1
[M+HCOO]-	463.30383	213.9
[M+CH3COO]-	477.31948	232.3
[M+Na-2H]-	439.28030	195.1
[M]+	418.30508	198.5
[M]-	418.30618	198.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.31291

200.5

[M+Na]+

441.29485

205.3

[M-H]-

417.29835

205.5

[M+NH4]+

436.33945

213.0

[M+K]+

457.26879

202.1

[M+H-H2O]+

401.30289

192.1

[M+HCOO]-

463.30383

213.9

[M+CH3COO]-

477.31948

232.3

[M+Na-2H]-

439.28030

195.1

[M]+

418.30508

198.5

[M]-

418.30618

198.5

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

Einecs 273-476-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe