CID 3059459

76603-21-9

Structural Information

Molecular Formula

C₁₅H₁₄N₄O

SMILES

CCC(=O)N1C2=C(C=NC=C2)N=C(N1)C3=CC=CC=C3

InChI

InChI=1S/C15H14N4O/c1-2-14(20)19-13-8-9-16-10-12(13)17-15(18-19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)

InChIKey

RNFKQUORQLXOQG-UHFFFAOYSA-N

Compound name

1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 266.11676 Da
Monoisotopic Mass: 3.0
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]+	267.124036	163.5
[M+Na]+	289.105978	171.6
[M-H]-	265.109484	164.1
[M+NH4]+	284.150583	174.4
[M+K]+	305.079918	165.2
[M+H-H2O]+	249.114020	152.9
[M+HCOO]-	311.114961	178.2
[M+CH3COO]-	325.130611	173.0
[M+Na-2H]-	287.091426	170.2
[M]+	266.11621142	161.1
[M]-	266.11730858	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe