CID 5378140

3-amino-6-nitro-4-phenyl-1h-quinolin-2-one

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

0
Patents

281.08005 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08733 159.0
[M+Na]+ 304.06927 167.0
[M-H]- 280.07277 164.3
[M+NH4]+ 299.11387 172.4
[M+K]+ 320.04321 157.3
[M+H-H2O]+ 264.07731 155.0
[M+HCOO]- 326.07825 181.6
[M+CH3COO]- 340.09390 194.4
[M+Na-2H]- 302.05472 167.5
[M]+ 281.07950 155.3
[M]- 281.08060 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