CID 3043412

1-dodecyl-4-piperonylpiperazine

Structural Information

Molecular Formula
C24H40N2O2
SMILES
CCCCCCCCCCCCN1CCN(CC1)CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C24H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-25-15-17-26(18-16-25)20-22-12-13-23-24(19-22)28-21-27-23/h12-13,19H,2-11,14-18,20-21H2,1H3
InChIKey
XGJATXFGSLXPEX-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-ylmethyl)-4-dodecylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.309 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.316276 203.4
[M+Na]+ 411.298218 204.7
[M-H]- 387.301724 206.4
[M+NH4]+ 406.342823 211.9
[M+K]+ 427.272158 201.3
[M+H-H2O]+ 371.306260 192.8
[M+HCOO]- 433.307201 214.8
[M+CH3COO]- 447.322851 222.3
[M+Na-2H]- 409.283666 201.6
[M]+ 388.30845142 205.2
[M]- 388.30954858 205.2
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.