CID 64592

117651-71-5

Structural Information

Molecular Formula
C20H26N4O
SMILES
CN1C2=CC=CC=C2N(C1=N)CC(=O)NC34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C20H26N4O/c1-23-16-4-2-3-5-17(16)24(19(23)21)12-18(25)22-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15,21H,6-12H2,1H3,(H,22,25)
InChIKey
CKIZVYWSPWOQLQ-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.21066 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21794 171.1
[M+Na]+ 361.19988 174.1
[M-H]- 337.20338 168.1
[M+NH4]+ 356.24448 190.9
[M+K]+ 377.17382 168.4
[M+H-H2O]+ 321.20792 161.3
[M+HCOO]- 383.20886 178.0
[M+CH3COO]- 397.22451 177.9
[M+Na-2H]- 359.18533 180.0
[M]+ 338.21011 171.8
[M]- 338.21121 171.8
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.