CID 16740745

3-(naphth-2-yl)quinoxaline-5-carboxylic acid

Structural Information

Molecular Formula
C19H12N2O2
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=NC4=C(C=CC=C4N=C3)C(=O)O
InChI
InChI=1S/C19H12N2O2/c22-19(23)15-6-3-7-16-18(15)21-17(11-20-16)14-9-8-12-4-1-2-5-13(12)10-14/h1-11H,(H,22,23)
InChIKey
XUITUTUPHAUUMJ-UHFFFAOYSA-N
Compound name
3-naphthalen-2-ylquinoxaline-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.08987 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09715 168.7
[M+Na]+ 323.07909 178.7
[M-H]- 299.08259 173.7
[M+NH4]+ 318.12369 181.9
[M+K]+ 339.05303 171.9
[M+H-H2O]+ 283.08713 158.5
[M+HCOO]- 345.08807 187.2
[M+CH3COO]- 359.10372 179.7
[M+Na-2H]- 321.06454 177.5
[M]+ 300.08932 169.8
[M]- 300.09042 169.8
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.