CID 206995

29007-19-0

Structural Information

Molecular Formula
C18H14N2O6
SMILES
COC1=CC=CC(=C1OC)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N2O6/c1-24-14-7-3-6-12(16(14)25-2)18(21)26-17-13(20(22)23)9-8-11-5-4-10-19-15(11)17/h3-10H,1-2H3
InChIKey
PPOVROLFOSGGLR-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 2,3-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

354.08517 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09245 178.9
[M+Na]+ 377.07439 185.7
[M-H]- 353.07789 185.6
[M+NH4]+ 372.11899 190.0
[M+K]+ 393.04833 179.2
[M+H-H2O]+ 337.08243 173.5
[M+HCOO]- 399.08337 200.8
[M+CH3COO]- 413.09902 208.2
[M+Na-2H]- 375.05984 185.9
[M]+ 354.08462 182.7
[M]- 354.08572 182.7
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