CID 2384506

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

Structural Information

Molecular Formula
C17H21ClN2OS
SMILES
CCCCCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCl
InChI
InChI=1S/C17H21ClN2OS/c1-2-3-4-5-6-13-7-9-14(10-8-13)15-12-22-17(19-15)20-16(21)11-18/h7-10,12H,2-6,11H2,1H3,(H,19,20,21)
InChIKey
PBJGADGELNFTPQ-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.10632 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11360 179.6
[M+Na]+ 359.09554 187.0
[M-H]- 335.09904 184.9
[M+NH4]+ 354.14014 195.2
[M+K]+ 375.06948 180.2
[M+H-H2O]+ 319.10358 172.1
[M+HCOO]- 381.10452 193.2
[M+CH3COO]- 395.12017 209.2
[M+Na-2H]- 357.08099 178.0
[M]+ 336.10577 185.5
[M]- 336.10687 185.5
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.