CID 11777816

Chembl483682

Structural Information

Molecular Formula
C15H12N2OS
SMILES
CC1=CC2=C(C=C1)SN(C2=O)/N=C/C3=CC=CC=C3
InChI
InChI=1S/C15H12N2OS/c1-11-7-8-14-13(9-11)15(18)17(19-14)16-10-12-5-3-2-4-6-12/h2-10H,1H3/b16-10+
InChIKey
BXPHLPJBOPLTBT-MHWRWJLKSA-N
Compound name
2-[(E)-benzylideneamino]-5-methyl-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.06705 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07433 158.3
[M+Na]+ 291.05627 170.6
[M-H]- 267.05977 167.5
[M+NH4]+ 286.10087 177.9
[M+K]+ 307.03021 164.9
[M+H-H2O]+ 251.06431 150.9
[M+HCOO]- 313.06525 181.3
[M+CH3COO]- 327.08090 172.5
[M+Na-2H]- 289.04172 163.0
[M]+ 268.06650 164.0
[M]- 268.06760 164.0
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.