CID 6434928

Brn 1439819

Structural Information

Molecular Formula
C25H37NO2
SMILES
CCN(C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CC1=CC2=C(C=C1)OCO2
InChI
InChI=1S/C25H37NO2/c1-6-26(18-23-13-14-24-25(17-23)28-19-27-24)16-15-22(5)12-8-11-21(4)10-7-9-20(2)3/h9,11,13-15,17H,6-8,10,12,16,18-19H2,1-5H3/b21-11+,22-15+
InChIKey
MEAFQUACBNEWMK-XQOFNESLSA-N
Compound name
(2E,6E)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.28244 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.28972 208.7
[M+Na]+ 406.27166 210.1
[M-H]- 382.27516 213.4
[M+NH4]+ 401.31626 220.7
[M+K]+ 422.24560 207.5
[M+H-H2O]+ 366.27970 200.9
[M+HCOO]- 428.28064 224.4
[M+CH3COO]- 442.29629 228.8
[M+Na-2H]- 404.25711 204.5
[M]+ 383.28189 212.8
[M]- 383.28299 212.8
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.