CID 24840573

10-nonadecenamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-, (z)-

Structural Information

Molecular Formula
C27H45NO3
SMILES
CCCCCCCC/C=C\CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(30)28-23-24-20-21-25(29)26(22-24)31-2/h10-11,20-22,29H,3-9,12-19,23H2,1-2H3,(H,28,30)/b11-10-
InChIKey
GLFCOGCSASQHDV-KHPPLWFESA-N
Compound name
(Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]nonadec-10-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

431.33994 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.347216 216.3
[M+Na]+ 454.329158 216.6
[M-H]- 430.332664 215.6
[M+NH4]+ 449.373763 225.2
[M+K]+ 470.303098 210.4
[M+H-H2O]+ 414.337200 207.0
[M+HCOO]- 476.338141 234.2
[M+CH3COO]- 490.353791 233.7
[M+Na-2H]- 452.314606 212.1
[M]+ 431.33939142 222.8
[M]- 431.34048858 222.8
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

patents stripe