CID 3049180

Lr 623

Structural Information

Molecular Formula
C24H30N2O4
SMILES
CC1(OC2=CC=CC=C2O1)CCN3CCN(CC3)CCC4(OC5=CC=CC=C5O4)C
InChI
InChI=1S/C24H30N2O4/c1-23(27-19-7-3-4-8-20(19)28-23)11-13-25-15-17-26(18-16-25)14-12-24(2)29-21-9-5-6-10-22(21)30-24/h3-10H,11-18H2,1-2H3
InChIKey
YKOCULXCIBDOKX-UHFFFAOYSA-N
Compound name
1,4-bis[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.22055 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22783 197.1
[M+Na]+ 433.20977 203.3
[M-H]- 409.21327 207.3
[M+NH4]+ 428.25437 208.3
[M+K]+ 449.18371 203.0
[M+H-H2O]+ 393.21781 188.3
[M+HCOO]- 455.21875 207.4
[M+CH3COO]- 469.23440 206.0
[M+Na-2H]- 431.19522 197.9
[M]+ 410.22000 199.6
[M]- 410.22110 199.6
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.