CID 24840573

N-((4-hydroxy-3-methoxyphenyl)methyl)-10-nonadecenamide (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]+ 432.34722 216.3
[M+Na]+ 454.32916 216.6
[M-H]- 430.33266 215.6
[M+NH4]+ 449.37376 225.2
[M+K]+ 470.30310 210.4
[M+H-H2O]+ 414.33720 207.0
[M+HCOO]- 476.33814 234.2
[M+CH3COO]- 490.35379 233.7
[M+Na-2H]- 452.31461 212.1
[M]+ 431.33939 222.8
[M]- 431.34049 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