CID 135497200

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

Structural Information

Molecular Formula
C16H12FN5O2
SMILES
C1=CC=C(C(=C1)CNC(=O)C2=NN=C(NC2=O)C3=CC=CC=N3)F
InChI
InChI=1S/C16H12FN5O2/c17-11-6-2-1-5-10(11)9-19-15(23)13-16(24)20-14(22-21-13)12-7-3-4-8-18-12/h1-8H,9H2,(H,19,23)(H,20,22,24)
InChIKey
VMINGXGZTQFDJK-UHFFFAOYSA-N
Compound name
N-[(2-fluorophenyl)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

325.0975 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10478 174.4
[M+Na]+ 348.08672 183.0
[M-H]- 324.09022 176.7
[M+NH4]+ 343.13132 181.3
[M+K]+ 364.06066 175.6
[M+H-H2O]+ 308.09476 161.8
[M+HCOO]- 370.09570 191.9
[M+CH3COO]- 384.11135 183.3
[M+Na-2H]- 346.07217 180.3
[M]+ 325.09695 171.7
[M]- 325.09805 171.7
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.