CID 118660977

2-(1-cyclohexylimidazo[4,5-c]pyridin-2-yl)-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C14H17N7
SMILES
C1CCC(CC1)N2C3=C(C=NC=C3)N=C2N4C(=NC=N4)N
InChI
InChI=1S/C14H17N7/c15-13-17-9-18-21(13)14-19-11-8-16-7-6-12(11)20(14)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,15,17,18)
InChIKey
MNMNRDWMPOLOGA-UHFFFAOYSA-N
Compound name
2-(1-cyclohexylimidazo[4,5-c]pyridin-2-yl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.15454 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16182 164.6
[M+Na]+ 306.14376 173.6
[M-H]- 282.14726 167.8
[M+NH4]+ 301.18836 175.9
[M+K]+ 322.11770 167.6
[M+H-H2O]+ 266.15180 152.6
[M+HCOO]- 328.15274 181.1
[M+CH3COO]- 342.16839 174.4
[M+Na-2H]- 304.12921 166.9
[M]+ 283.15399 161.6
[M]- 283.15509 161.6
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