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]+ 288.19582 173.2
[M+Na]+ 310.17776 177.1
[M-H]- 286.18126 175.8
[M+NH4]+ 305.22236 188.6
[M+K]+ 326.15170 173.7
[M+H-H2O]+ 270.18580 165.9
[M+HCOO]- 332.18674 193.9
[M+CH3COO]- 346.20239 206.5
[M+Na-2H]- 308.16321 172.4
[M]+ 287.18799 174.6
[M]- 287.18909 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.