CID 6434917

Brn 2996635

Structural Information

Molecular Formula
C25H35N
SMILES
CC(=CCC/C(=C/CC/C(=C/CN(C)CC#CC1=CC=CC=C1)/C)/C)C
InChI
InChI=1S/C25H35N/c1-22(2)12-9-13-23(3)14-10-15-24(4)19-21-26(5)20-11-18-25-16-7-6-8-17-25/h6-8,12,14,16-17,19H,9-10,13,15,20-21H2,1-5H3/b23-14+,24-19+
InChIKey
OSWSVAJYFRHLDH-RGYFEBRMSA-N
Compound name
(2E,6E)-N,3,7,11-tetramethyl-N-(3-phenylprop-2-ynyl)dodeca-2,6,10-trien-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.27695 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.28423 196.9
[M+Na]+ 372.26617 200.8
[M-H]- 348.26967 197.9
[M+NH4]+ 367.31077 208.6
[M+K]+ 388.24011 193.6
[M+H-H2O]+ 332.27421 182.7
[M+HCOO]- 394.27515 209.9
[M+CH3COO]- 408.29080 226.4
[M+Na-2H]- 370.25162 191.8
[M]+ 349.27640 192.4
[M]- 349.27750 192.4
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.