CID 135454192

Chembl4483382

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C(C=C1)/C(=C/C2=NC3=CC=CC=C3NC2=O)/O
InChI
InChI=1S/C16H12N2O2/c19-15(11-6-2-1-3-7-11)10-14-16(20)18-13-9-5-4-8-12(13)17-14/h1-10,19H,(H,18,20)/b15-10-
InChIKey
TUSIKWIKOGCMJO-GDNBJRDFSA-N
Compound name
3-[(Z)-2-hydroxy-2-phenylethenyl]-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

264.08987 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 159.9
[M+Na]+ 287.07909 175.4
[M+NH4]+ 282.12369 167.3
[M+K]+ 303.05303 167.7
[M-H]- 263.08259 162.8
[M+Na-2H]- 285.06454 168.4
[M]+ 264.08932 162.9
[M]- 264.09042 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe