CID 135527589

Chembl3717449

Structural Information

Molecular Formula
C16H12N2O3
SMILES
CC1=C(N=C2C=C(C(=CC2=N1)C(=O)O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H12N2O3/c1-9-15(10-5-3-2-4-6-10)18-13-8-14(19)11(16(20)21)7-12(13)17-9/h2-8,19H,1H3,(H,20,21)
InChIKey
FOLLIPRQSKTKTH-UHFFFAOYSA-N
Compound name
7-hydroxy-3-methyl-2-phenylquinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

280.08478 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09206 163.4
[M+Na]+ 303.07400 173.0
[M-H]- 279.07750 166.5
[M+NH4]+ 298.11860 176.3
[M+K]+ 319.04794 167.6
[M+H-H2O]+ 263.08204 154.6
[M+HCOO]- 325.08298 180.8
[M+CH3COO]- 339.09863 174.4
[M+Na-2H]- 301.05945 168.7
[M]+ 280.08423 163.7
[M]- 280.08533 163.7
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