CID 5378140

36020-93-6

Structural Information

Molecular Formula
C15H11N3O3
SMILES
C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])N
InChI
InChI=1S/C15H11N3O3/c16-14-13(9-4-2-1-3-5-9)11-8-10(18(20)21)6-7-12(11)17-15(14)19/h1-8H,16H2,(H,17,19)
InChIKey
VBAGZJBCMMYDQZ-UHFFFAOYSA-N
Compound name
3-amino-6-nitro-4-phenyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

281.08005 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.087326 159.0
[M+Na]+ 304.069268 167.0
[M-H]- 280.072774 164.3
[M+NH4]+ 299.113873 172.4
[M+K]+ 320.043208 157.3
[M+H-H2O]+ 264.077310 155.0
[M+HCOO]- 326.078251 181.6
[M+CH3COO]- 340.093901 194.4
[M+Na-2H]- 302.054716 167.5
[M]+ 281.07950142 155.3
[M]- 281.08059858 155.3
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

patents stripe