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 218.4
[M+Na]+ 434.30294 218.6
[M-H]- 410.30644 222.8
[M+NH4]+ 429.34754 229.1
[M+K]+ 450.27688 216.2
[M+H-H2O]+ 394.31098 210.5
[M+HCOO]- 456.31192 232.4
[M+CH3COO]- 470.32757 235.5
[M+Na-2H]- 432.28839 212.0
[M]+ 411.31317 222.6
[M]- 411.31427 222.6
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.