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

0
Patents

252.1011 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10838 157.2
[M+Na]+ 275.09032 168.9
[M-H]- 251.09382 160.7
[M+NH4]+ 270.13492 171.8
[M+K]+ 291.06426 163.7
[M+H-H2O]+ 235.09836 147.4
[M+HCOO]- 297.09930 177.5
[M+CH3COO]- 311.11495 169.6
[M+Na-2H]- 273.07577 162.9
[M]+ 252.10055 160.5
[M]- 252.10165 160.5
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