CID 30713

Methyl 5-methyl-1-(2-quinoxalinyl)-4-pyrazolyl ketone

Structural Information

Molecular Formula

C₁₄H₁₂N₄O

SMILES

CC1=C(C=NN1C2=NC3=CC=CC=C3N=C2)C(=O)C

InChI

InChI=1S/C14H12N4O/c1-9-11(10(2)19)7-16-18(9)14-8-15-12-5-3-4-6-13(12)17-14/h3-8H,1-2H3

InChIKey

WJUROSUYIAUHMJ-UHFFFAOYSA-N

Compound name

1-(5-methyl-1-quinoxalin-2-ylpyrazol-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 252.1011 Da
Monoisotopic Mass: 1.6
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	157.2
[M+Na]+	275.090318	168.9
[M-H]-	251.093824	160.7
[M+NH4]+	270.134923	171.8
[M+K]+	291.064258	163.7
[M+H-H2O]+	235.098360	147.4
[M+HCOO]-	297.099301	177.5
[M+CH3COO]-	311.114951	169.6
[M+Na-2H]-	273.075766	162.9
[M]+	252.10055142	160.5
[M]-	252.10164858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe