CID 24840671

N-((4-hydroxy-3-methoxyphenyl)methyl)-11-octadecenamide (z)-

Structural Information

Molecular Formula
C26H43NO3
SMILES
CCCCCC/C=C\CCCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h8-9,19-21,28H,3-7,10-18,22H2,1-2H3,(H,27,29)/b9-8-
InChIKey
XQIIEKARLFLUDX-HJWRWDBZSA-N
Compound name
(Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-11-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

417.32428 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.33156 211.9
[M+Na]+ 440.31350 212.7
[M-H]- 416.31700 211.5
[M+NH4]+ 435.35810 221.5
[M+K]+ 456.28744 206.8
[M+H-H2O]+ 400.32154 202.9
[M+HCOO]- 462.32248 230.2
[M+CH3COO]- 476.33813 230.8
[M+Na-2H]- 438.29895 208.3
[M]+ 417.32373 218.2
[M]- 417.32483 218.2
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