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 176.5
[M+Na]+ 352.11688 193.3
[M+NH4]+ 347.16148 183.6
[M+K]+ 368.09082 187.0
[M-H]- 328.12038 181.9
[M+Na-2H]- 350.10233 187.6
[M]+ 329.12711 180.5
[M]- 329.12821 180.5
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.