CID 6443804

Piperazine, 1-(3-(1,3-benzodioxol-5-yl)-1-oxo-2-propenyl)-4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-,monohydrochloride, (e)-

Structural Information

Molecular Formula
C20H25N3O4
SMILES
C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C20H25N3O4/c24-19(6-4-16-3-5-17-18(13-16)27-15-26-17)23-11-9-21(10-12-23)14-20(25)22-7-1-2-8-22/h3-6,13H,1-2,7-12,14-15H2/b6-4+
InChIKey
PZMLVXOVOLQCMP-GQCTYLIASA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

371.1845 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19178 189.6
[M+Na]+ 394.17372 191.8
[M-H]- 370.17722 195.7
[M+NH4]+ 389.21832 198.2
[M+K]+ 410.14766 190.0
[M+H-H2O]+ 354.18176 180.0
[M+HCOO]- 416.18270 199.3
[M+CH3COO]- 430.19835 196.8
[M+Na-2H]- 392.15917 184.9
[M]+ 371.18395 185.5
[M]- 371.18505 185.5
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