CID 6434559

Brn 1438789

Structural Information

Molecular Formula
C24H35NO2
SMILES
CC(=CCC/C(=C/CC/C(=C/CN(C)CC1=CC2=C(C=C1)OCO2)/C)/C)C
InChI
InChI=1S/C24H35NO2/c1-19(2)8-6-9-20(3)10-7-11-21(4)14-15-25(5)17-22-12-13-23-24(16-22)27-18-26-23/h8,10,12-14,16H,6-7,9,11,15,17-18H2,1-5H3/b20-10+,21-14+
InChIKey
PRHZTADWIRISQU-SKVGTYKASA-N
Compound name
(2E,6E)-N-(1,3-benzodioxol-5-ylmethyl)-N,3,7,11-tetramethyldodeca-2,6,10-trien-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.26678 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.27406 204.0
[M+Na]+ 392.25600 205.7
[M-H]- 368.25950 208.8
[M+NH4]+ 387.30060 216.5
[M+K]+ 408.22994 203.5
[M+H-H2O]+ 352.26404 196.4
[M+HCOO]- 414.26498 220.1
[M+CH3COO]- 428.28063 225.8
[M+Na-2H]- 390.24145 200.3
[M]+ 369.26623 207.8
[M]- 369.26733 207.8
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.