CID 21118502

68426-04-0

Structural Information

Molecular Formula
C32H42N6O2
SMILES
CC1CN(C(=N1)C2=CC=CC=C2)C(=O)NCC3(CC(CC(C3)(C)C)NC(=O)N4CC(N=C4C5=CC=CC=C5)C)C
InChI
InChI=1S/C32H42N6O2/c1-22-18-37(27(34-22)24-12-8-6-9-13-24)29(39)33-21-32(5)17-26(16-31(3,4)20-32)36-30(40)38-19-23(2)35-28(38)25-14-10-7-11-15-25/h6-15,22-23,26H,16-21H2,1-5H3,(H,33,39)(H,36,40)
InChIKey
IKJUCDPTNAAYLC-UHFFFAOYSA-N
Compound name
4-methyl-2-phenyl-N-[[1,3,3-trimethyl-5-[(4-methyl-2-phenyl-4,5-dihydroimidazole-1-carbonyl)amino]cyclohexyl]methyl]-4,5-dihydroimidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.3369 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.34418 230.3
[M+Na]+ 565.32612 232.8
[M-H]- 541.32962 240.8
[M+NH4]+ 560.37072 236.2
[M+K]+ 581.30006 226.8
[M+H-H2O]+ 525.33416 217.4
[M+HCOO]- 587.33510 242.6
[M+CH3COO]- 601.35075 235.1
[M+Na-2H]- 563.31157 223.7
[M]+ 542.33635 226.4
[M]- 542.33745 226.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.