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]+ 339.217936 171.6
[M+Na]+ 361.199878 174.1
[M-H]- 337.203384 168.7
[M+NH4]+ 356.244483 189.7
[M+K]+ 377.173818 168.7
[M+H-H2O]+ 321.207920 162.8
[M+HCOO]- 383.208861 178.5
[M+CH3COO]- 397.224511 178.3
[M+Na-2H]- 359.185326 179.0
[M]+ 338.21011142 172.4
[M]- 338.21120858 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.