CID 374151

Nsc651608

Structural Information

Molecular Formula
C25H27ClN4O
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=NC5=CC=CC=C5N4CC6=CC=C(C=C6)Cl
InChI
InChI=1S/C25H27ClN4O/c26-20-7-5-16(6-8-20)15-30-22-4-2-1-3-21(22)27-23(30)28-24(31)29-25-12-17-9-18(13-25)11-19(10-17)14-25/h1-8,17-19H,9-15H2,(H2,27,28,29,31)
InChIKey
MBZUYEPZRNJIAJ-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.18735 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.19463 188.5
[M+Na]+ 457.17657 191.0
[M-H]- 433.18007 187.9
[M+NH4]+ 452.22117 204.7
[M+K]+ 473.15051 183.9
[M+H-H2O]+ 417.18461 176.9
[M+HCOO]- 479.18555 190.8
[M+CH3COO]- 493.20120 193.8
[M+Na-2H]- 455.16202 196.6
[M]+ 434.18680 191.1
[M]- 434.18790 191.1
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.