CID 3053679

70292-14-7

Structural Information

Molecular Formula
C19H15N5O
SMILES
CC1=C(N=NN1C2=CC=NC3=CC=CC=C32)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C19H15N5O/c1-13-18(19(25)21-14-7-3-2-4-8-14)22-23-24(13)17-11-12-20-16-10-6-5-9-15(16)17/h2-12H,1H3,(H,21,25)
InChIKey
VBKPVSWUTQBOMY-UHFFFAOYSA-N
Compound name
5-methyl-N-phenyl-1-quinolin-4-yltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.12766 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.134936 177.2
[M+Na]+ 352.116878 186.9
[M-H]- 328.120384 183.6
[M+NH4]+ 347.161483 187.6
[M+K]+ 368.090818 179.8
[M+H-H2O]+ 312.124920 165.4
[M+HCOO]- 374.125861 197.9
[M+CH3COO]- 388.141511 187.6
[M+Na-2H]- 350.102326 183.4
[M]+ 329.12711142 178.7
[M]- 329.12820858 178.7
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.