CID 13472085

97167-57-2

Structural Information

Molecular Formula
C20H23N3O5
SMILES
C1CC(=O)N(C1)C(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C20H23N3O5/c24-18(6-4-15-3-5-16-17(12-15)28-14-27-16)22-10-8-21(9-11-22)13-20(26)23-7-1-2-19(23)25/h3-6,12H,1-2,7-11,13-14H2/b6-4+
InChIKey
IORAAULJIYPZJR-GQCTYLIASA-N
Compound name
1-[2-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]acetyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.16376 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17104 191.4
[M+Na]+ 408.15298 194.6
[M-H]- 384.15648 198.0
[M+NH4]+ 403.19758 199.5
[M+K]+ 424.12692 192.9
[M+H-H2O]+ 368.16102 182.3
[M+HCOO]- 430.16196 201.5
[M+CH3COO]- 444.17761 215.4
[M+Na-2H]- 406.13843 186.4
[M]+ 385.16321 188.5
[M]- 385.16431 188.5
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

No patent data available for this compound.