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 172.8
[M+Na]+ 340.12676 177.2
[M-H]- 316.13026 178.6
[M+NH4]+ 335.17136 183.3
[M+K]+ 356.10070 175.5
[M+H-H2O]+ 300.13480 164.2
[M+HCOO]- 362.13574 183.3
[M+CH3COO]- 376.15139 181.6
[M+Na-2H]- 338.11221 170.3
[M]+ 317.13699 167.6
[M]- 317.13809 167.6
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.