CID 207003

8-quinolinol, 7-nitro-, acetylsalicylate

Structural Information

Molecular Formula
C18H12N2O6
SMILES
CC(=O)OC1=CC=CC=C1C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H12N2O6/c1-11(21)25-15-7-3-2-6-13(15)18(22)26-17-14(20(23)24)9-8-12-5-4-10-19-16(12)17/h2-10H,1H3
InChIKey
NMMUVLBAZSBTSM-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 2-acetyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.06955 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07683 175.4
[M+Na]+ 375.05877 190.1
[M+NH4]+ 370.10337 181.4
[M+K]+ 391.03271 187.0
[M-H]- 351.06227 179.4
[M+Na-2H]- 373.04422 182.6
[M]+ 352.06900 178.4
[M]- 352.07010 178.4
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