CID 509481

4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid

Structural Information

Molecular Formula
C19H14N2O3
SMILES
C1=CC=C2C(=C1)N=C(C3=CC=CN23)COC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C19H14N2O3/c22-19(23)13-7-9-14(10-8-13)24-12-16-18-6-3-11-21(18)17-5-2-1-4-15(17)20-16/h1-11H,12H2,(H,22,23)
InChIKey
BFLFNYCGSBXTMV-UHFFFAOYSA-N
Compound name
4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

318.10043 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10771 172.4
[M+Na]+ 341.08965 182.1
[M-H]- 317.09315 177.8
[M+NH4]+ 336.13425 186.8
[M+K]+ 357.06359 176.3
[M+H-H2O]+ 301.09769 163.1
[M+HCOO]- 363.09863 192.1
[M+CH3COO]- 377.11428 183.6
[M+Na-2H]- 339.07510 178.1
[M]+ 318.09988 176.0
[M]- 318.10098 176.0
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

No patent data available for this compound.