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

3
Patents

280.13242 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.139696 167.9
[M+Na]+ 303.121638 175.5
[M-H]- 279.125144 168.3
[M+NH4]+ 298.166243 178.2
[M+K]+ 319.095578 168.9
[M+H-H2O]+ 263.129680 157.0
[M+HCOO]- 325.130621 182.2
[M+CH3COO]- 339.146271 177.0
[M+Na-2H]- 301.107086 174.1
[M]+ 280.13187142 165.8
[M]- 280.13296858 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