CID 851474

639052-78-1

Structural Information

Molecular Formula

C₁₆H₁₃ClN₂OS

SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H13ClN2OS/c1-10-7-14-13(9-12(10)17)18-16(21-14)19-15(20)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,18,19,20)

InChIKey

DYHAMRNAHTWYKY-UHFFFAOYSA-N

Compound name

N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 8
Patents: 316.0437 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	317.05098	170.2
[M+Na]+	339.03292	181.5
[M-H]-	315.03642	177.6
[M+NH4]+	334.07752	187.9
[M+K]+	355.00686	174.4
[M+H-H2O]+	299.04096	163.6
[M+HCOO]-	361.04190	185.5
[M+CH3COO]-	375.05755	182.6
[M+Na-2H]-	337.01837	172.6
[M]+	316.04315	176.7
[M]-	316.04425	176.7

Literature stripe

literature stripe

Patent stripe

patents stripe