CID 3024585

Octadecanamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-9-methylene-

Structural Information

Molecular Formula
C27H45NO3
SMILES
CCCCCCCCCC(=C)CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C27H45NO3/c1-4-5-6-7-8-10-13-16-23(2)17-14-11-9-12-15-18-27(30)28-22-24-19-20-25(29)26(21-24)31-3/h19-21,29H,2,4-18,22H2,1,3H3,(H,28,30)
InChIKey
PFEOHIBNJZVNAU-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methylideneoctadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

431.33994 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.347216 216.8
[M+Na]+ 454.329158 216.9
[M-H]- 430.332664 216.2
[M+NH4]+ 449.373763 225.6
[M+K]+ 470.303098 211.2
[M+H-H2O]+ 414.337200 207.7
[M+HCOO]- 476.338141 233.8
[M+CH3COO]- 490.353791 235.2
[M+Na-2H]- 452.314606 211.4
[M]+ 431.33939142 222.9
[M]- 431.34048858 222.9
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

patents stripe