CID 6447132

Brn 0865120

Structural Information

Molecular Formula
C32H48N2O2
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)/C)/C)/C)C
InChI
InChI=1S/C32H48N2O2/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/h9,11,13,15-17,23H,6-8,10,12,14,18-22,24-25H2,1-5H3/b27-11+,28-13+,29-17+
InChIKey
QPDRMXYYNOECDJ-RPFCEBOUSA-N
Compound name
1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.37158 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.37886 237.2
[M+Na]+ 515.36080 235.3
[M-H]- 491.36430 239.3
[M+NH4]+ 510.40540 240.9
[M+K]+ 531.33474 229.7
[M+H-H2O]+ 475.36884 226.5
[M+HCOO]- 537.36978 242.6
[M+CH3COO]- 551.38543 243.9
[M+Na-2H]- 513.34625 226.8
[M]+ 492.37103 236.2
[M]- 492.37213 236.2
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.