CID 135419521

Brn 0566107

Structural Information

Molecular Formula
C16H13N3O2S2
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3S2)O
InChI
InChI=1S/C16H13N3O2S2/c20-13-7-3-1-5-11(13)9-17-19-15(21)10-22-16-18-12-6-2-4-8-14(12)23-16/h1-9,20H,10H2,(H,19,21)/b17-9+
InChIKey
XMEPGYPYPHNFLJ-RQZCQDPDSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.04492 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.05220 172.8
[M+Na]+ 366.03414 184.5
[M+NH4]+ 361.07874 180.9
[M+K]+ 382.00808 175.3
[M-H]- 342.03764 177.5
[M+Na-2H]- 364.01959 180.2
[M]+ 343.04437 176.6
[M]- 343.04547 176.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.