CID 3054676

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

Structural Information

Molecular Formula
C21H30N2OS
SMILES
CCCCCCCCCCCC(=O)NC1=NC(=CS1)C2=CC=CC=C2
InChI
InChI=1S/C21H30N2OS/c1-2-3-4-5-6-7-8-9-13-16-20(24)23-21-22-19(17-25-21)18-14-11-10-12-15-18/h10-12,14-15,17H,2-9,13,16H2,1H3,(H,22,23,24)
InChIKey
RJSLGEHCGWLDGI-UHFFFAOYSA-N
Compound name
N-(4-phenyl-1,3-thiazol-2-yl)dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

358.2079 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.21518 189.9
[M+Na]+ 381.19712 193.9
[M-H]- 357.20062 194.0
[M+NH4]+ 376.24172 203.3
[M+K]+ 397.17106 187.9
[M+H-H2O]+ 341.20516 180.7
[M+HCOO]- 403.20610 206.8
[M+CH3COO]- 417.22175 216.3
[M+Na-2H]- 379.18257 187.5
[M]+ 358.20735 194.7
[M]- 358.20845 194.7
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