CID 135511087

5-oxo-n-(p-tolylmethyl)-3-(2-pyridyl)-4h-1,2,4-triazine-6-carboxamide

Structural Information

Molecular Formula
C17H15N5O2
SMILES
CC1=CC=C(C=C1)CNC(=O)C2=NN=C(NC2=O)C3=CC=CC=N3
InChI
InChI=1S/C17H15N5O2/c1-11-5-7-12(8-6-11)10-19-16(23)14-17(24)20-15(22-21-14)13-4-2-3-9-18-13/h2-9H,10H2,1H3,(H,19,23)(H,20,22,24)
InChIKey
QTGLEMDPIFMNGD-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]-5-oxo-3-pyridin-2-yl-4H-1,2,4-triazine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.1226 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12988 176.2
[M+Na]+ 344.11182 184.3
[M-H]- 320.11532 179.7
[M+NH4]+ 339.15642 183.3
[M+K]+ 360.08576 177.3
[M+H-H2O]+ 304.11986 164.4
[M+HCOO]- 366.12080 194.5
[M+CH3COO]- 380.13645 185.3
[M+Na-2H]- 342.09727 182.2
[M]+ 321.12205 174.8
[M]- 321.12315 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.