CID 25323219

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

Structural Information

Molecular Formula
C18H17ClN2OS
SMILES
CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCl)C
InChI
InChI=1S/C18H17ClN2OS/c1-12-8-9-15-17(13(12)2)20-18(23-15)21(16(22)10-19)11-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKey
MEGDDPBJSBYRRI-UHFFFAOYSA-N
Compound name
N-benzyl-2-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.075 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.08228 179.7
[M+Na]+ 367.06422 190.1
[M-H]- 343.06772 188.2
[M+NH4]+ 362.10882 196.9
[M+K]+ 383.03816 184.0
[M+H-H2O]+ 327.07226 172.5
[M+HCOO]- 389.07320 194.7
[M+CH3COO]- 403.08885 191.7
[M+Na-2H]- 365.04967 180.4
[M]+ 344.07445 188.1
[M]- 344.07555 188.1
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.