CID 5311093

Olvanil

Structural Information

Molecular Formula
C26H43NO3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=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/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)/b11-10-
InChIKey
OPZKBPQVWDSATI-KHPPLWFESA-N
Compound name
(Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

95
References

2430
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

literature stripe

Patent stripe

patents stripe