CID 135529690

Chembl482433

Structural Information

Molecular Formula
C14H10N2O2S
SMILES
C1=CC=C(C(=C1)/C=N/N2C(=O)C3=CC=CC=C3S2)O
InChI
InChI=1S/C14H10N2O2S/c17-12-7-3-1-5-10(12)9-15-16-14(18)11-6-2-4-8-13(11)19-16/h1-9,17H/b15-9+
InChIKey
MKZIFAPLZKYZMW-OQLLNIDSSA-N
Compound name
2-[(E)-(2-hydroxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.0463 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05358 157.0
[M+Na]+ 293.03552 169.0
[M-H]- 269.03902 164.9
[M+NH4]+ 288.08012 175.7
[M+K]+ 309.00946 163.3
[M+H-H2O]+ 253.04356 150.0
[M+HCOO]- 315.04450 179.0
[M+CH3COO]- 329.06015 170.8
[M+Na-2H]- 291.02097 162.1
[M]+ 270.04575 162.0
[M]- 270.04685 162.0
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.