CID 135439505

Chembl450323

Structural Information

Molecular Formula
C15H12N2O3S
SMILES
COC1=C(C=CC(=C1)/C=N/N2C(=O)C3=CC=CC=C3S2)O
InChI
InChI=1S/C15H12N2O3S/c1-20-13-8-10(6-7-12(13)18)9-16-17-15(19)11-4-2-3-5-14(11)21-17/h2-9,18H,1H3/b16-9+
InChIKey
OLUNEKSRCLWFSL-CXUHLZMHSA-N
Compound name
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.05685 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06413 164.9
[M+Na]+ 323.04607 177.0
[M-H]- 299.04957 173.0
[M+NH4]+ 318.09067 182.6
[M+K]+ 339.02001 171.7
[M+H-H2O]+ 283.05411 157.7
[M+HCOO]- 345.05505 186.7
[M+CH3COO]- 359.07070 178.4
[M+Na-2H]- 321.03152 169.0
[M]+ 300.05630 172.0
[M]- 300.05740 172.0
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.