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 178.6
[M+Na]+ 385.04312 187.1
[M-H]- 361.04662 187.3
[M+NH4]+ 380.08772 188.6
[M+K]+ 401.01706 180.4
[M+H-H2O]+ 345.05116 172.3
[M+HCOO]- 407.05210 200.1
[M+CH3COO]- 421.06775 208.8
[M+Na-2H]- 383.02857 189.4
[M]+ 362.05335 182.5
[M]- 362.05445 182.5
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.