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 159.1
[M+Na]+ 275.09032 167.6
[M-H]- 251.09382 159.9
[M+NH4]+ 270.13492 170.6
[M+K]+ 291.06426 161.5
[M+H-H2O]+ 235.09836 148.7
[M+HCOO]- 297.09930 174.1
[M+CH3COO]- 311.11495 169.1
[M+Na-2H]- 273.07577 166.3
[M]+ 252.10055 156.4
[M]- 252.10165 156.4
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