CID 96702

55436-41-4

Structural Information

Molecular Formula
C20H22N2O4
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C20H22N2O4/c1-3-17-19(25-13-23-17)9-15(1)11-21-5-7-22(8-6-21)12-16-2-4-18-20(10-16)26-14-24-18/h1-4,9-10H,5-8,11-14H2
InChIKey
YVSQILWSGSVLFA-UHFFFAOYSA-N
Compound name
1,4-bis(1,3-benzodioxol-5-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

354.15796 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.165236 180.3
[M+Na]+ 377.147178 186.0
[M-H]- 353.150684 190.5
[M+NH4]+ 372.191783 189.7
[M+K]+ 393.121118 186.0
[M+H-H2O]+ 337.155220 172.4
[M+HCOO]- 399.156161 191.9
[M+CH3COO]- 413.171811 190.0
[M+Na-2H]- 375.132626 181.0
[M]+ 354.15741142 180.9
[M]- 354.15850858 180.9
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