CID 381913

4-azido-3-nitro-1-phenyl-2-quinolone

Structural Information

Molecular Formula
C15H9N5O3
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)[N+](=O)[O-])N=[N+]=[N-]
InChI
InChI=1S/C15H9N5O3/c16-18-17-13-11-8-4-5-9-12(11)19(10-6-2-1-3-7-10)15(21)14(13)20(22)23/h1-9H
InChIKey
IBNOMQPZAKBNKT-UHFFFAOYSA-N
Compound name
4-azido-3-nitro-1-phenylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.07053 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.07781 166.1
[M+Na]+ 330.05975 172.6
[M-H]- 306.06325 175.0
[M+NH4]+ 325.10435 178.7
[M+K]+ 346.03369 159.9
[M+H-H2O]+ 290.06779 164.5
[M+HCOO]- 352.06873 194.9
[M+CH3COO]- 366.08438 203.4
[M+Na-2H]- 328.04520 178.9
[M]+ 307.06998 163.1
[M]- 307.07108 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.