CID 5276828

2-(4-chlorophenyl)-3-(p-tolyl)quinoxaline-6-carboxylic acid

Structural Information

Molecular Formula
C22H15ClN2O2
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(=O)O)N=C2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H15ClN2O2/c1-13-2-4-14(5-3-13)21-20(15-6-9-17(23)10-7-15)24-18-11-8-16(22(26)27)12-19(18)25-21/h2-12H,1H3,(H,26,27)
InChIKey
VOJLMTXNOGGTFY-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-(4-methylphenyl)quinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0822 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08948 188.2
[M+Na]+ 397.07142 198.4
[M-H]- 373.07492 195.1
[M+NH4]+ 392.11602 198.3
[M+K]+ 413.04536 190.1
[M+H-H2O]+ 357.07946 177.5
[M+HCOO]- 419.08040 201.2
[M+CH3COO]- 433.09605 197.9
[M+Na-2H]- 395.05687 191.7
[M]+ 374.08165 190.9
[M]- 374.08275 190.9
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

No patent data available for this compound.