CID 3059463

Pyrido(3,4-e)-1,2,4-triazine, 1,2-dihydro-1-(1-oxobutyl)-3-phenyl-

Structural Information

Molecular Formula
C16H16N4O
SMILES
CCCC(=O)N1C2=C(C=NC=C2)N=C(N1)C3=CC=CC=C3
InChI
InChI=1S/C16H16N4O/c1-2-6-15(21)20-14-9-10-17-11-13(14)18-16(19-20)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3,(H,18,19)
InChIKey
QNYSFOOFLSITFF-UHFFFAOYSA-N
Compound name
1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.13242 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 167.9
[M+Na]+ 303.12164 175.5
[M-H]- 279.12514 168.3
[M+NH4]+ 298.16624 178.2
[M+K]+ 319.09558 168.9
[M+H-H2O]+ 263.12968 157.0
[M+HCOO]- 325.13062 182.2
[M+CH3COO]- 339.14627 177.0
[M+Na-2H]- 301.10709 174.1
[M]+ 280.13187 165.8
[M]- 280.13297 165.8
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

patents stripe