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 166.9
[M+Na]+ 303.12164 182.0
[M+NH4]+ 298.16624 173.7
[M+K]+ 319.09558 174.3
[M-H]- 279.12514 169.2
[M+Na-2H]- 301.10709 174.7
[M]+ 280.13187 169.6
[M]- 280.13297 169.6
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