CID 3021874

5-(4-(2-nitrophenyl)piperazin-1-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C14H18N4O3
SMILES
C1CC(=O)NC1N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C14H18N4O3/c19-14-6-5-13(15-14)17-9-7-16(8-10-17)11-3-1-2-4-12(11)18(20)21/h1-4,13H,5-10H2,(H,15,19)
InChIKey
IKWNKXJUZBPYPU-UHFFFAOYSA-N
Compound name
5-[4-(2-nitrophenyl)piperazin-1-yl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

290.13788 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14516 165.4
[M+Na]+ 313.12710 176.4
[M+NH4]+ 308.17170 171.6
[M+K]+ 329.10104 175.4
[M-H]- 289.13060 169.2
[M+Na-2H]- 311.11255 170.5
[M]+ 290.13733 167.5
[M]- 290.13843 167.5
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