CID 34432

Brn 1555008

Structural Information

Molecular Formula
C19H10N2O6
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OC3=C(C=CC4=C3N=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H10N2O6/c22-18-13(10-12-4-1-2-6-15(12)26-18)19(23)27-17-14(21(24)25)8-7-11-5-3-9-20-16(11)17/h1-10H
InChIKey
ACTQTYMINMEQFW-UHFFFAOYSA-N
Compound name
(7-nitroquinolin-8-yl) 2-oxochromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.0539 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06118 176.8
[M+Na]+ 385.04312 195.1
[M+NH4]+ 380.08772 183.9
[M+K]+ 401.01706 190.4
[M-H]- 361.04662 183.8
[M+Na-2H]- 383.02857 185.3
[M]+ 362.05335 181.4
[M]- 362.05445 181.4
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

No patent data available for this compound.