CID 10589476

Chembl483237

Structural Information

Molecular Formula
C14H9ClN2OS
SMILES
C1=CC=C2C(=C1)C(=O)N(S2)/N=C/C3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H9ClN2OS/c15-11-5-3-4-10(8-11)9-16-17-14(18)12-6-1-2-7-13(12)19-17/h1-9H/b16-9+
InChIKey
UMHIGUDBGDMYPY-CXUHLZMHSA-N
Compound name
2-[(E)-(3-chlorophenyl)methylideneamino]-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.01242 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.01970 161.6
[M+Na]+ 311.00164 174.9
[M-H]- 287.00514 170.7
[M+NH4]+ 306.04624 181.2
[M+K]+ 326.97558 168.0
[M+H-H2O]+ 271.00968 154.9
[M+HCOO]- 333.01062 180.2
[M+CH3COO]- 347.02627 175.7
[M+Na-2H]- 308.98709 166.2
[M]+ 288.01187 169.0
[M]- 288.01297 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.