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

5
Patents

215.14224 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 147.4
[M+Na]+ 238.13146 154.9
[M-H]- 214.13496 151.7
[M+NH4]+ 233.17606 165.6
[M+K]+ 254.10540 150.2
[M+H-H2O]+ 198.13950 138.9
[M+HCOO]- 260.14044 167.8
[M+CH3COO]- 274.15609 159.4
[M+Na-2H]- 236.11691 152.4
[M]+ 215.14169 143.1
[M]- 215.14279 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