CID 101683175

N-[2-(4-prenyloxyphenyl)ethyl]tiglamide

Structural Information

Molecular Formula
C18H25NO2
SMILES
C/C=C(\C)/C(=O)NCCC1=CC=C(C=C1)OCC=C(C)C
InChI
InChI=1S/C18H25NO2/c1-5-15(4)18(20)19-12-10-16-6-8-17(9-7-16)21-13-11-14(2)3/h5-9,11H,10,12-13H2,1-4H3,(H,19,20)/b15-5+
InChIKey
VKVSQOIICDPVQR-PJQLUOCWSA-N
Compound name
(E)-2-methyl-N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.18854 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.195816 173.2
[M+Na]+ 310.177758 177.1
[M-H]- 286.181264 175.8
[M+NH4]+ 305.222363 188.6
[M+K]+ 326.151698 173.7
[M+H-H2O]+ 270.185800 165.9
[M+HCOO]- 332.186741 193.9
[M+CH3COO]- 346.202391 206.5
[M+Na-2H]- 308.163206 172.4
[M]+ 287.18799142 174.6
[M]- 287.18908858 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.