CID 2870186

3-nitro-1-phenyl-4-(piperidin-1-yl)quinolin-2(1h)-one

Structural Information

Molecular Formula
C20H19N3O3
SMILES
C1CCN(CC1)C2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H19N3O3/c24-20-19(23(25)26)18(21-13-7-2-8-14-21)16-11-5-6-12-17(16)22(20)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2
InChIKey
FNRJSENHNOAUHO-UHFFFAOYSA-N
Compound name
3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

349.14264 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.149916 181.7
[M+Na]+ 372.131858 186.4
[M-H]- 348.135364 188.7
[M+NH4]+ 367.176463 190.9
[M+K]+ 388.105798 176.5
[M+H-H2O]+ 332.139900 174.2
[M+HCOO]- 394.140841 198.8
[M+CH3COO]- 408.156491 207.8
[M+Na-2H]- 370.117306 187.6
[M]+ 349.14209142 176.1
[M]- 349.14318858 176.1
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.