CID 2879094

3-nitro-1-phenyl-4-(pyrrolidin-1-yl)quinolin-2(1h)-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]+ 336.13426 177.4
[M+Na]+ 358.11620 183.5
[M-H]- 334.11970 185.5
[M+NH4]+ 353.16080 189.4
[M+K]+ 374.09014 173.8
[M+H-H2O]+ 318.12424 171.3
[M+HCOO]- 380.12518 197.4
[M+CH3COO]- 394.14083 204.1
[M+Na-2H]- 356.10165 182.2
[M]+ 335.12643 173.8
[M]- 335.12753 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.