CID 34431

Brn 1550729

Structural Information

Molecular Formula
C20H12N2O4
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H12N2O4/c23-20(16-8-7-13-4-1-2-5-15(13)12-16)26-19-17(22(24)25)10-9-14-6-3-11-21-18(14)19/h1-12H
InChIKey
SLDGJSWCIXINJN-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0797 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.08698 176.9
[M+Na]+ 367.06892 184.1
[M-H]- 343.07242 184.2
[M+NH4]+ 362.11352 188.9
[M+K]+ 383.04286 175.2
[M+H-H2O]+ 327.07696 170.8
[M+HCOO]- 389.07790 198.6
[M+CH3COO]- 403.09355 206.6
[M+Na-2H]- 365.05437 186.9
[M]+ 344.07915 178.1
[M]- 344.08025 178.1
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

No patent data available for this compound.