CID 2879094

3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one

Structural Information

Molecular Formula
C19H17N3O3
SMILES
C1CCN(C1)C2=C(C(=O)N(C3=CC=CC=C32)C4=CC=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H17N3O3/c23-19-18(22(24)25)17(20-12-6-7-13-20)15-10-4-5-11-16(15)21(19)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13H2
InChIKey
FMFCAPHXUBSQEE-UHFFFAOYSA-N
Compound name
3-nitro-1-phenyl-4-pyrrolidin-1-ylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

335.12698 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.134256 177.4
[M+Na]+ 358.116198 183.5
[M-H]- 334.119704 185.5
[M+NH4]+ 353.160803 189.4
[M+K]+ 374.090138 173.8
[M+H-H2O]+ 318.124240 171.3
[M+HCOO]- 380.125181 197.4
[M+CH3COO]- 394.140831 204.1
[M+Na-2H]- 356.101646 182.2
[M]+ 335.12643142 173.8
[M]- 335.12752858 173.8
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.