CID 10804031

Chembl482662

Structural Information

Molecular Formula
C16H14N2O2S
SMILES
CC1=CC2=C(C=C1)SN(C2=O)/N=C/C3=CC=C(C=C3)OC
InChI
InChI=1S/C16H14N2O2S/c1-11-3-8-15-14(9-11)16(19)18(21-15)17-10-12-4-6-13(20-2)7-5-12/h3-10H,1-2H3/b17-10+
InChIKey
GHVFQQIKUYGQOC-LICLKQGHSA-N
Compound name
2-[(E)-(4-methoxyphenyl)methylideneamino]-5-methyl-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.0776 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08488 166.4
[M+Na]+ 321.06682 178.8
[M-H]- 297.07032 175.7
[M+NH4]+ 316.11142 185.0
[M+K]+ 337.04076 173.5
[M+H-H2O]+ 281.07486 158.8
[M+HCOO]- 343.07580 189.2
[M+CH3COO]- 357.09145 180.3
[M+Na-2H]- 319.05227 170.1
[M]+ 298.07705 174.3
[M]- 298.07815 174.3
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.