CID 5710595

292053-10-2

Structural Information

Molecular Formula
C23H35NO3
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)NC2CCCCCCCCCCC2)OC
InChI
InChI=1S/C23H35NO3/c1-26-21-16-14-19(18-22(21)27-2)15-17-23(25)24-20-12-10-8-6-4-3-5-7-9-11-13-20/h14-18,20H,3-13H2,1-2H3,(H,24,25)/b17-15+
InChIKey
FUQTYYWTSVLZMW-BMRADRMJSA-N
Compound name
(E)-N-cyclododecyl-3-(3,4-dimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.2617 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.26898 191.3
[M+Na]+ 396.25092 191.0
[M-H]- 372.25442 193.5
[M+NH4]+ 391.29552 199.6
[M+K]+ 412.22486 188.2
[M+H-H2O]+ 356.25896 185.7
[M+HCOO]- 418.25990 206.6
[M+CH3COO]- 432.27555 213.5
[M+Na-2H]- 394.23637 188.2
[M]+ 373.26115 183.0
[M]- 373.26225 183.0
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.