CID 24840670

6-octadecenamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-, (e)-

Structural Information

Molecular Formula
C26H43NO3
SMILES
CCCCCCCCCCC/C=C\CCCCC(=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/h13-14,19-21,28H,3-12,15-18,22H2,1-2H3,(H,27,29)/b14-13-
InChIKey
LXCHCLBKVYILML-YPKPFQOOSA-N
Compound name
(Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-6-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]+ 418.331556 211.9
[M+Na]+ 440.313498 212.7
[M-H]- 416.317004 211.5
[M+NH4]+ 435.358103 221.5
[M+K]+ 456.287438 206.8
[M+H-H2O]+ 400.321540 202.9
[M+HCOO]- 462.322481 230.2
[M+CH3COO]- 476.338131 230.8
[M+Na-2H]- 438.298946 208.3
[M]+ 417.32373142 218.2
[M]- 417.32482858 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