CID 207005

Brn 1550728

Structural Information

Molecular Formula
C20H12N2O4
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H12N2O4/c23-20(16-9-3-6-13-5-1-2-8-15(13)16)26-19-17(22(24)25)11-10-14-7-4-12-21-18(14)19/h1-12H
InChIKey
HUGMXYVQEPCDGX-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) naphthalene-1-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]+ 345.086976 176.9
[M+Na]+ 367.068918 184.1
[M-H]- 343.072424 184.2
[M+NH4]+ 362.113523 188.9
[M+K]+ 383.042858 175.2
[M+H-H2O]+ 327.076960 170.8
[M+HCOO]- 389.077901 198.6
[M+CH3COO]- 403.093551 206.6
[M+Na-2H]- 365.054366 186.9
[M]+ 344.07915142 178.1
[M]- 344.08024858 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.