CID 16759163

Palda

Structural Information

Molecular Formula
C24H41NO3
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)25-19-18-21-16-17-22(26)23(27)20-21/h16-17,20,26-27H,2-15,18-19H2,1H3,(H,25,28)
InChIKey
TWJJFOWLTIEYFO-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dihydroxyphenyl)ethyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

32
Patents

391.30865 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.31593 204.3
[M+Na]+ 414.29787 205.1
[M-H]- 390.30137 202.7
[M+NH4]+ 409.34247 214.2
[M+K]+ 430.27181 199.4
[M+H-H2O]+ 374.30591 195.7
[M+HCOO]- 436.30685 221.5
[M+CH3COO]- 450.32250 223.9
[M+Na-2H]- 412.28332 201.2
[M]+ 391.30810 208.7
[M]- 391.30920 208.7
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