CID 206996

Brn 1552530

Structural Information

Molecular Formula
C18H14N2O6
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C18H14N2O6/c1-24-14-8-6-12(10-15(14)25-2)18(21)26-17-13(20(22)23)7-5-11-4-3-9-19-16(11)17/h3-10H,1-2H3
InChIKey
UVSQSXYVILHCKC-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 3,4-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 177.5
[M+Na]+ 377.07439 192.9
[M+NH4]+ 372.11899 183.9
[M+K]+ 393.04833 189.2
[M-H]- 353.07789 182.1
[M+Na-2H]- 375.05984 184.8
[M]+ 354.08462 180.9
[M]- 354.08572 180.9
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