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]+ 325.202276 166.2
[M+Na]+ 347.184218 168.7
[M-H]- 323.187724 162.7
[M+NH4]+ 342.228823 186.1
[M+K]+ 363.158158 163.5
[M+H-H2O]+ 307.192260 156.5
[M+HCOO]- 369.193201 172.9
[M+CH3COO]- 383.208851 173.0
[M+Na-2H]- 345.169666 175.5
[M]+ 324.19445142 166.2
[M]- 324.19554858 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.