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]+ 389.31628 203.4
[M+Na]+ 411.29822 204.7
[M-H]- 387.30172 206.4
[M+NH4]+ 406.34282 211.9
[M+K]+ 427.27216 201.3
[M+H-H2O]+ 371.30626 192.8
[M+HCOO]- 433.30720 214.8
[M+CH3COO]- 447.32285 222.3
[M+Na-2H]- 409.28367 201.6
[M]+ 388.30845 205.2
[M]- 388.30955 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.