CID 3024455

58493-50-8

Structural Information

Molecular Formula
C26H45NO3
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C26H45NO3/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/h19-21,28H,3-18,22H2,1-2H3,(H,27,29)
InChIKey
SBFFPOWNFONUBK-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3-methoxyphenyl)methyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

419.33994 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.34722 213.1
[M+Na]+ 442.32916 213.5
[M-H]- 418.33266 212.6
[M+NH4]+ 437.37376 222.6
[M+K]+ 458.30310 208.2
[M+H-H2O]+ 402.33720 203.9
[M+HCOO]- 464.33814 231.2
[M+CH3COO]- 478.35379 232.2
[M+Na-2H]- 440.31461 209.4
[M]+ 419.33939 220.1
[M]- 419.34049 220.1
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