CID 135496346

N-benzyl-5-oxo-3-(2-pyridyl)-4h-1,2,4-triazine-6-carboxamide

Structural Information

Molecular Formula
C16H13N5O2
SMILES
C1=CC=C(C=C1)CNC(=O)C2=NN=C(NC2=O)C3=CC=CC=N3
InChI
InChI=1S/C16H13N5O2/c22-15(18-10-11-6-2-1-3-7-11)13-16(23)19-14(21-20-13)12-8-4-5-9-17-12/h1-9H,10H2,(H,18,22)(H,19,21,23)
InChIKey
YIHXJPBUBYUOMN-UHFFFAOYSA-N
Compound name
N-benzyl-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

307.10693 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11421 170.8
[M+Na]+ 330.09615 178.4
[M-H]- 306.09965 174.1
[M+NH4]+ 325.14075 178.1
[M+K]+ 346.07009 171.5
[M+H-H2O]+ 290.10419 159.0
[M+HCOO]- 352.10513 189.4
[M+CH3COO]- 366.12078 180.0
[M+Na-2H]- 328.08160 178.2
[M]+ 307.10638 168.7
[M]- 307.10748 168.7
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.