CID 131750978

N-2-[4-(3,3-dimethylallyloxy)phenyl]ethylcinnamide

Structural Information

Molecular Formula
C22H25NO2
SMILES
CC(=CCOC1=CC=C(C=C1)CCNC(=O)/C=C\C2=CC=CC=C2)C
InChI
InChI=1S/C22H25NO2/c1-18(2)15-17-25-21-11-8-20(9-12-21)14-16-23-22(24)13-10-19-6-4-3-5-7-19/h3-13,15H,14,16-17H2,1-2H3,(H,23,24)/b13-10-
InChIKey
GDBYZGRXGDJMHH-RAXLEYEMSA-N
Compound name
(Z)-N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.18854 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 184.8
[M+Na]+ 358.17776 188.4
[M-H]- 334.18126 190.2
[M+NH4]+ 353.22236 197.7
[M+K]+ 374.15170 182.9
[M+H-H2O]+ 318.18580 175.8
[M+HCOO]- 380.18674 206.5
[M+CH3COO]- 394.20239 213.3
[M+Na-2H]- 356.16321 185.7
[M]+ 335.18799 185.6
[M]- 335.18909 185.6
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.