CID 371891

Nsc646475

Structural Information

Molecular Formula
C19H24N4O
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C5=CC=CC=C5N=C4N
InChI
InChI=1S/C19H24N4O/c20-18-21-15-3-1-2-4-16(15)23(18)11-17(24)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H2,20,21)(H,22,24)
InChIKey
MNLSJOALQQXDLE-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-(2-aminobenzimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.195 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20228 166.2
[M+Na]+ 347.18422 168.7
[M-H]- 323.18772 162.7
[M+NH4]+ 342.22882 186.1
[M+K]+ 363.15816 163.5
[M+H-H2O]+ 307.19226 156.5
[M+HCOO]- 369.19320 172.9
[M+CH3COO]- 383.20885 173.0
[M+Na-2H]- 345.16967 175.5
[M]+ 324.19445 166.2
[M]- 324.19555 166.2
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.