CID 135456731

Chembl482860

Structural Information

Molecular Formula
C15H12N2O2S
SMILES
CC1=CC2=C(C=C1)SN(C2=O)/N=C/C3=CC=CC=C3O
InChI
InChI=1S/C15H12N2O2S/c1-10-6-7-14-12(8-10)15(19)17(20-14)16-9-11-4-2-3-5-13(11)18/h2-9,18H,1H3/b16-9+
InChIKey
ADSWNZVPAWYURN-CXUHLZMHSA-N
Compound name
2-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.06195 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06923 161.7
[M+Na]+ 307.05117 174.1
[M-H]- 283.05467 169.8
[M+NH4]+ 302.09577 180.1
[M+K]+ 323.02511 168.2
[M+H-H2O]+ 267.05921 154.7
[M+HCOO]- 329.06015 183.4
[M+CH3COO]- 343.07580 175.4
[M+Na-2H]- 305.03662 165.6
[M]+ 284.06140 167.5
[M]- 284.06250 167.5
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.