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: 5
Patents: 252.1011 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.108376	159.1
[M+Na]+	275.090318	167.6
[M-H]-	251.093824	159.9
[M+NH4]+	270.134923	170.6
[M+K]+	291.064258	161.5
[M+H-H2O]+	235.098360	148.7
[M+HCOO]-	297.099301	174.1
[M+CH3COO]-	311.114951	169.1
[M+Na-2H]-	273.075766	166.3
[M]+	252.10055142	156.4
[M]-	252.10164858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe