CID 3053681

70292-17-0

Structural Information

Molecular Formula
C15H13N5O
SMILES
CC1=C(N=NN1C2=CC=NC=C2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C15H13N5O/c1-11-14(15(21)17-12-5-3-2-4-6-12)18-19-20(11)13-7-9-16-10-8-13/h2-10H,1H3,(H,17,21)
InChIKey
WBNOEOUWJYXEOF-UHFFFAOYSA-N
Compound name
5-methyl-N-phenyl-1-pyridin-4-yltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.112 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11928 163.4
[M+Na]+ 302.10122 171.7
[M-H]- 278.10472 168.5
[M+NH4]+ 297.14582 174.8
[M+K]+ 318.07516 166.4
[M+H-H2O]+ 262.10926 152.1
[M+HCOO]- 324.11020 184.5
[M+CH3COO]- 338.12585 174.3
[M+Na-2H]- 300.08667 168.6
[M]+ 279.11145 163.1
[M]- 279.11255 163.1
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

No patent data available for this compound.