CID 6434929

Brn 1440728

Structural Information

Molecular Formula
C27H41NO2
SMILES
CC(C)CN(C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C27H41NO2/c1-21(2)9-7-10-23(5)11-8-12-24(6)15-16-28(18-22(3)4)19-25-13-14-26-27(17-25)30-20-29-26/h9,11,13-15,17,22H,7-8,10,12,16,18-20H2,1-6H3/b23-11+,24-15+
InChIKey
MEMSGJUSKNEJGP-PNHPFKHWSA-N
Compound name
(2E,6E)-N-(1,3-benzodioxol-5-ylmethyl)-3,7,11-trimethyl-N-(2-methylpropyl)dodeca-2,6,10-trien-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.31372 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.32100 211.4
[M+Na]+ 434.30294 218.4
[M+NH4]+ 429.34754 216.5
[M+K]+ 450.27688 213.8
[M-H]- 410.30644 214.7
[M+Na-2H]- 432.28839 210.1
[M]+ 411.31317 213.0
[M]- 411.31427 213.0
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.