CID 34390

Benzoic acid, m-ethoxy-, 7-nitro-8-quinolyl ester

Structural Information

Molecular Formula
C18H14N2O5
SMILES
CCOC1=CC=CC(=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N2O5/c1-2-24-14-7-3-5-13(11-14)18(21)25-17-15(20(22)23)9-8-12-6-4-10-19-16(12)17/h3-11H,2H2,1H3
InChIKey
GSPLWVCWRITULV-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 3-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.09027 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09755 174.4
[M+Na]+ 361.07949 190.0
[M+NH4]+ 356.12409 181.4
[M+K]+ 377.05343 185.5
[M-H]- 337.08299 179.4
[M+Na-2H]- 359.06494 182.4
[M]+ 338.08972 178.0
[M]- 338.09082 178.0
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