CID 10684466

Chembl483475

Structural Information

Molecular Formula
C15H12N2O2S
SMILES
COC1=CC=C(C=C1)/C=N/N2C(=O)C3=CC=CC=C3S2
InChI
InChI=1S/C15H12N2O2S/c1-19-12-8-6-11(7-9-12)10-16-17-15(18)13-4-2-3-5-14(13)20-17/h2-10H,1H3/b16-10+
InChIKey
GLQWNQHHMDKSNG-MHWRWJLKSA-N
Compound name
2-[(E)-(4-methoxyphenyl)methylideneamino]-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 173.7
[M-H]- 283.05467 170.9
[M+NH4]+ 302.09577 180.6
[M+K]+ 323.02511 168.7
[M+H-H2O]+ 267.05921 154.2
[M+HCOO]- 329.06015 184.9
[M+CH3COO]- 343.07580 175.7
[M+Na-2H]- 305.03662 166.6
[M]+ 284.06140 168.8
[M]- 284.06250 168.8
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.