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]+ 350.14992 181.7
[M+Na]+ 372.13186 186.4
[M-H]- 348.13536 188.7
[M+NH4]+ 367.17646 190.9
[M+K]+ 388.10580 176.5
[M+H-H2O]+ 332.13990 174.2
[M+HCOO]- 394.14084 198.8
[M+CH3COO]- 408.15649 207.8
[M+Na-2H]- 370.11731 187.6
[M]+ 349.14209 176.1
[M]- 349.14319 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.