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 156.0
[M+Na]+ 275.09032 172.3
[M+NH4]+ 270.13492 163.4
[M+K]+ 291.06426 167.0
[M-H]- 251.09382 158.4
[M+Na-2H]- 273.07577 164.7
[M]+ 252.10055 159.1
[M]- 252.10165 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.