CID 201192

Piperazine, 4-piperonyl-1-piperonyloyl-, methanesulfonate

Structural Information

Molecular Formula
C20H20N2O5
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C20H20N2O5/c23-20(15-2-4-17-19(10-15)27-13-25-17)22-7-5-21(6-8-22)11-14-1-3-16-18(9-14)26-12-24-16/h1-4,9-10H,5-8,11-13H2
InChIKey
LCUFCEPQSSYQHR-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-yl-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

368.1372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14448 183.7
[M+Na]+ 391.12642 196.2
[M+NH4]+ 386.17102 190.8
[M+K]+ 407.10036 195.3
[M-H]- 367.12992 192.8
[M+Na-2H]- 389.11187 185.9
[M]+ 368.13665 188.0
[M]- 368.13775 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.