CID 9504093

N-benzyl-2-chloro-n-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

Structural Information

Molecular Formula
C16H17ClN2OS
SMILES
C1CCC2=C(C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCl
InChI
InChI=1S/C16H17ClN2OS/c17-10-15(20)19(11-12-6-2-1-3-7-12)16-18-13-8-4-5-9-14(13)21-16/h1-3,6-7H,4-5,8-11H2
InChIKey
NBRWJLNIGJVUAB-UHFFFAOYSA-N
Compound name
N-benzyl-2-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.075 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08228 172.8
[M+Na]+ 343.06422 179.3
[M-H]- 319.06772 179.8
[M+NH4]+ 338.10882 190.1
[M+K]+ 359.03816 174.3
[M+H-H2O]+ 303.07226 165.5
[M+HCOO]- 365.07320 184.4
[M+CH3COO]- 379.08885 183.5
[M+Na-2H]- 341.04967 173.2
[M]+ 320.07445 175.5
[M]- 320.07555 175.5
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.