CID 217147

38160-25-7

Structural Information

Molecular Formula
C16H19N3O4
SMILES
C1CN(CCN1)C(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C16H19N3O4/c20-15-7-11(16(21)18-5-3-17-4-6-18)9-19(15)12-1-2-13-14(8-12)23-10-22-13/h1-2,8,11,17H,3-7,9-10H2
InChIKey
MDDKTCIETJSNMT-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.13754 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14482 173.4
[M+Na]+ 340.12676 182.8
[M+NH4]+ 335.17136 179.2
[M+K]+ 356.10070 182.9
[M-H]- 316.13026 177.5
[M+Na-2H]- 338.11221 174.9
[M]+ 317.13699 175.4
[M]- 317.13809 175.4
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

No patent data available for this compound.