CID 10851933

Chembl485520

Structural Information

Molecular Formula
C15H11ClN2OS
SMILES
CC1=CC2=C(C=C1)SN(C2=O)/N=C/C3=CC=CC=C3Cl
InChI
InChI=1S/C15H11ClN2OS/c1-10-6-7-14-12(8-10)15(19)18(20-14)17-9-11-4-2-3-5-13(11)16/h2-9H,1H3/b17-9+
InChIKey
WYKQYUGNWBCQEZ-RQZCQDPDSA-N
Compound name
2-[(E)-(2-chlorophenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.02808 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.03536 166.3
[M+Na]+ 325.01730 180.0
[M-H]- 301.02080 175.6
[M+NH4]+ 320.06190 185.7
[M+K]+ 340.99124 172.9
[M+H-H2O]+ 285.02534 159.6
[M+HCOO]- 347.02628 184.5
[M+CH3COO]- 361.04193 180.3
[M+Na-2H]- 323.00275 169.7
[M]+ 302.02753 174.5
[M]- 302.02863 174.5
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.