CID 629852

2,3-diphenylquinoxaline-6-carboxylic acid

Structural Information

Molecular Formula
C21H14N2O2
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=CC=C4
InChI
InChI=1S/C21H14N2O2/c24-21(25)16-11-12-17-18(13-16)23-20(15-9-5-2-6-10-15)19(22-17)14-7-3-1-4-8-14/h1-13H,(H,24,25)
InChIKey
LFWGZXMTCUOPFI-UHFFFAOYSA-N
Compound name
2,3-diphenylquinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

81
Patents

326.10553 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11281 177.3
[M+Na]+ 349.09475 185.4
[M-H]- 325.09825 183.9
[M+NH4]+ 344.13935 187.9
[M+K]+ 365.06869 178.3
[M+H-H2O]+ 309.10279 166.2
[M+HCOO]- 371.10373 195.3
[M+CH3COO]- 385.11938 187.2
[M+Na-2H]- 347.08020 183.4
[M]+ 326.10498 176.3
[M]- 326.10608 176.3
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