CID 3064088

F 246

Structural Information

Molecular Formula
C26H34N2O4
SMILES
CC(CCC1=CC2=C(C=C1)OCO2)N3CCN(CC3)C(C)CCC4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C26H34N2O4/c1-19(3-5-21-7-9-23-25(15-21)31-17-29-23)27-11-13-28(14-12-27)20(2)4-6-22-8-10-24-26(16-22)32-18-30-24/h7-10,15-16,19-20H,3-6,11-14,17-18H2,1-2H3
InChIKey
IUFLFJNZCUZGLB-UHFFFAOYSA-N
Compound name
1,4-bis[4-(1,3-benzodioxol-5-yl)butan-2-yl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.25186 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.25914 207.8
[M+Na]+ 461.24108 219.1
[M+NH4]+ 456.28568 214.5
[M+K]+ 477.21502 217.1
[M-H]- 437.24458 217.2
[M+Na-2H]- 459.22653 208.6
[M]+ 438.25131 212.1
[M]- 438.25241 212.1
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.