CID 14344747

Hexadecanamide, n-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-

Structural Information

Molecular Formula
C24H39Cl2NO2
SMILES
CCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C(=C1O)Cl)CC)Cl
InChI
InChI=1S/C24H39Cl2NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)27-21-18-20(25)19(4-2)23(26)24(21)29/h18,29H,3-17H2,1-2H3,(H,27,28)
InChIKey
XNIGXYXNGOOKMT-UHFFFAOYSA-N
Compound name
N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

86
Patents

443.23578 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.24306 212.3
[M+Na]+ 466.22500 216.9
[M-H]- 442.22850 212.3
[M+NH4]+ 461.26960 223.1
[M+K]+ 482.19894 208.1
[M+H-H2O]+ 426.23304 206.1
[M+HCOO]- 488.23398 221.5
[M+CH3COO]- 502.24963 233.9
[M+Na-2H]- 464.21045 207.2
[M]+ 443.23523 221.1
[M]- 443.23633 221.1
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