CID 3059461

76603-26-4

Structural Information

Molecular Formula
C14H12N4O
SMILES
CC(=O)N1C2=C(C=NC=C2)N=C(N1)C3=CC=CC=C3
InChI
InChI=1S/C14H12N4O/c1-10(19)18-13-7-8-15-9-12(13)16-14(17-18)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKey
GRXARNNAJDGLND-UHFFFAOYSA-N
Compound name
1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

252.1011 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10838 157.9
[M+Na]+ 275.09032 173.5
[M+NH4]+ 270.13492 165.1
[M+K]+ 291.06426 166.3
[M-H]- 251.09382 160.3
[M+Na-2H]- 273.07577 166.3
[M]+ 252.10055 160.8
[M]- 252.10165 160.8
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