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
1
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]+ 515.31288 221.5
[M+Na]+ 537.29482 223.2
[M-H]- 513.29832 231.5
[M+NH4]+ 532.33942 227.9
[M+K]+ 553.26876 217.4
[M+H-H2O]+ 497.30286 208.1
[M+HCOO]- 559.30380 234.5
[M+CH3COO]- 573.31945 226.5
[M+Na-2H]- 535.28027 217.1
[M]+ 514.30505 216.0
[M]- 514.30615 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.