CID 63259778

5-(4-phenyl-4h-1,2,4-triazol-3-yl)pyridin-2-amine

Structural Information

Molecular Formula
C13H11N5
SMILES
C1=CC=C(C=C1)N2C=NN=C2C3=CN=C(C=C3)N
InChI
InChI=1S/C13H11N5/c14-12-7-6-10(8-15-12)13-17-16-9-18(13)11-4-2-1-3-5-11/h1-9H,(H2,14,15)
InChIKey
XIUGXHSDZUNYKP-UHFFFAOYSA-N
Compound name
5-(4-phenyl-1,2,4-triazol-3-yl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10144 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10872 152.3
[M+Na]+ 260.09066 167.6
[M+NH4]+ 255.13526 159.9
[M+K]+ 276.06460 162.2
[M-H]- 236.09416 157.0
[M+Na-2H]- 258.07611 163.5
[M]+ 237.10089 155.8
[M]- 237.10199 155.8
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

No patent data available for this compound.