CID 21226759

1-cyclohexyl-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CCC(CC1)N2C3=CC=CC=C3N=C2N
InChI
InChI=1S/C13H17N3/c14-13-15-11-8-4-5-9-12(11)16(13)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,14,15)
InChIKey
HPCOFOBVDIFJIJ-UHFFFAOYSA-N
Compound name
1-cyclohexylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

215.14224 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 147.4
[M+Na]+ 238.131458 154.9
[M-H]- 214.134964 151.7
[M+NH4]+ 233.176063 165.6
[M+K]+ 254.105398 150.2
[M+H-H2O]+ 198.139500 138.9
[M+HCOO]- 260.140441 167.8
[M+CH3COO]- 274.156091 159.4
[M+Na-2H]- 236.116906 152.4
[M]+ 215.14169142 143.1
[M]- 215.14278858 143.1
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

patents stripe