CID 135462254

6-[(4-methoxybenzylamino)carbonyl]-3-(pyridin-2-yl)-4h-1,2,4-triazin-5-one

Structural Information

Molecular Formula
C17H15N5O3
SMILES
COC1=CC=C(C=C1)CNC(=O)C2=NN=C(NC2=O)C3=CC=CC=N3
InChI
InChI=1S/C17H15N5O3/c1-25-12-7-5-11(6-8-12)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
BPNYXRRSJVIKBV-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)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

337.1175 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.12478 178.6
[M+Na]+ 360.10672 186.5
[M-H]- 336.11022 182.2
[M+NH4]+ 355.15132 184.9
[M+K]+ 376.08066 180.1
[M+H-H2O]+ 320.11476 166.5
[M+HCOO]- 382.11570 197.0
[M+CH3COO]- 396.13135 187.5
[M+Na-2H]- 358.09217 184.7
[M]+ 337.11695 178.6
[M]- 337.11805 178.6
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.