CID 3054677

Octadecanamide, n-(4-phenyl-2-thiazolyl)-

Structural Information

Molecular Formula
C27H42N2OS
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=CS1)C2=CC=CC=C2
InChI
InChI=1S/C27H42N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(30)29-27-28-25(23-31-27)24-20-17-16-18-21-24/h16-18,20-21,23H,2-15,19,22H2,1H3,(H,28,29,30)
InChIKey
CSHQOPQWHVGQFQ-UHFFFAOYSA-N
Compound name
N-(4-phenyl-1,3-thiazol-2-yl)octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

442.3018 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.30908 215.0
[M+Na]+ 465.29102 216.3
[M-H]- 441.29452 218.0
[M+NH4]+ 460.33562 225.0
[M+K]+ 481.26496 209.0
[M+H-H2O]+ 425.29906 204.7
[M+HCOO]- 487.30000 229.9
[M+CH3COO]- 501.31565 233.8
[M+Na-2H]- 463.27647 209.9
[M]+ 442.30125 221.9
[M]- 442.30235 221.9
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