CID 3292314

2-chloro-n-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

Structural Information

Molecular Formula
C23H25ClN2OS
SMILES
CCCCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C3=CC=CC=C3)Cl
InChI
InChI=1S/C23H25ClN2OS/c1-2-3-4-6-9-17-12-14-18(15-13-17)20-16-28-23(25-20)26-22(27)21(24)19-10-7-5-8-11-19/h5,7-8,10-16,21H,2-4,6,9H2,1H3,(H,25,26,27)
InChIKey
BLTHWYCSCHELLA-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1376 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.14488 200.2
[M+Na]+ 435.12682 206.0
[M-H]- 411.13032 208.2
[M+NH4]+ 430.17142 212.1
[M+K]+ 451.10076 198.1
[M+H-H2O]+ 395.13486 191.3
[M+HCOO]- 457.13580 212.3
[M+CH3COO]- 471.15145 223.4
[M+Na-2H]- 433.11227 197.2
[M]+ 412.13705 205.3
[M]- 412.13815 205.3
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

No patent data available for this compound.