CID 3057798

1-phenyl-4-(4-piperonyl-1-piperazinylcarbonyl)-2-pyrrolidinone hydrochloride

Structural Information

Molecular Formula
C23H25N3O4
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5
InChI
InChI=1S/C23H25N3O4/c27-22-13-18(15-26(22)19-4-2-1-3-5-19)23(28)25-10-8-24(9-11-25)14-17-6-7-20-21(12-17)30-16-29-20/h1-7,12,18H,8-11,13-16H2
InChIKey
QDBWBEKNARMMKG-UHFFFAOYSA-N
Compound name
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1845 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.19178 196.5
[M+Na]+ 430.17372 200.3
[M-H]- 406.17722 206.4
[M+NH4]+ 425.21832 203.5
[M+K]+ 446.14766 197.5
[M+H-H2O]+ 390.18176 186.0
[M+HCOO]- 452.18270 207.2
[M+CH3COO]- 466.19835 204.1
[M+Na-2H]- 428.15917 191.7
[M]+ 407.18395 193.0
[M]- 407.18505 193.0
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.