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]+ 330.13494 177.2
[M+Na]+ 352.11688 186.9
[M-H]- 328.12038 183.6
[M+NH4]+ 347.16148 187.6
[M+K]+ 368.09082 179.8
[M+H-H2O]+ 312.12492 165.4
[M+HCOO]- 374.12586 197.9
[M+CH3COO]- 388.14151 187.6
[M+Na-2H]- 350.10233 183.4
[M]+ 329.12711 178.7
[M]- 329.12821 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.