CID 6446207

Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,7,11,15-tetramethyl-2-hexadecyl)-

Structural Information

Molecular Formula
C32H54N2O2
SMILES
CC(C)CCCC(C)CCCC(C)CCC/C(=C/CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)/C
InChI
InChI=1S/C32H54N2O2/c1-26(2)9-6-10-27(3)11-7-12-28(4)13-8-14-29(5)17-18-33-19-21-34(22-20-33)24-30-15-16-31-32(23-30)36-25-35-31/h15-17,23,26-28H,6-14,18-22,24-25H2,1-5H3/b29-17+
InChIKey
PZRBZVDFZZWIGZ-STBIYBPSSA-N
Compound name
1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.41852 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.42580 240.2
[M+Na]+ 521.40774 237.1
[M-H]- 497.41124 242.0
[M+NH4]+ 516.45234 243.7
[M+K]+ 537.38168 233.3
[M+H-H2O]+ 481.41578 229.2
[M+HCOO]- 543.41672 244.9
[M+CH3COO]- 557.43237 247.5
[M+Na-2H]- 519.39319 229.7
[M]+ 498.41797 241.5
[M]- 498.41907 241.5
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.