CID 785765

117651-74-8

Structural Information

Molecular Formula
C20H26N4O
SMILES
CN1C2=CC=CC=C2N(C1=N)CC(=O)NC3C4CC5CC(C4)CC3C5
InChI
InChI=1S/C20H26N4O/c1-23-16-4-2-3-5-17(16)24(20(23)21)11-18(25)22-19-14-7-12-6-13(9-14)10-15(19)8-12/h2-5,12-15,19,21H,6-11H2,1H3,(H,22,25)
InChIKey
PAYCTDSCZCUCMM-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-2-(2-imino-3-methylbenzimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

338.21066 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.21794 171.6
[M+Na]+ 361.19988 174.1
[M-H]- 337.20338 168.7
[M+NH4]+ 356.24448 189.7
[M+K]+ 377.17382 168.7
[M+H-H2O]+ 321.20792 162.8
[M+HCOO]- 383.20886 178.5
[M+CH3COO]- 397.22451 178.3
[M+Na-2H]- 359.18533 179.0
[M]+ 338.21011 172.4
[M]- 338.21121 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.