CID 21118499

Dtxsid30887381

Structural Information

Molecular Formula
C30H38N6O2
SMILES
CC1(CC(CC(C1)(C)CNC(=O)N2CCN=C2C3=CC=CC=C3)NC(=O)N4CCN=C4C5=CC=CC=C5)C
InChI
InChI=1S/C30H38N6O2/c1-29(2)18-24(34-28(38)36-17-15-32-26(36)23-12-8-5-9-13-23)19-30(3,20-29)21-33-27(37)35-16-14-31-25(35)22-10-6-4-7-11-22/h4-13,24H,14-21H2,1-3H3,(H,33,37)(H,34,38)
InChIKey
UUVJJYOTIWVOBC-UHFFFAOYSA-N
Compound name
2-phenyl-N-[[1,3,3-trimethyl-5-[(2-phenyl-4,5-dihydroimidazole-1-carbonyl)amino]cyclohexyl]methyl]-4,5-dihydroimidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

514.3056 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.312876 221.5
[M+Na]+ 537.294818 223.2
[M-H]- 513.298324 231.5
[M+NH4]+ 532.339423 227.9
[M+K]+ 553.268758 217.4
[M+H-H2O]+ 497.302860 208.1
[M+HCOO]- 559.303801 234.5
[M+CH3COO]- 573.319451 226.5
[M+Na-2H]- 535.280266 217.1
[M]+ 514.30505142 216.0
[M]- 514.30614858 216.0
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.