CID 135544916

2-(1,3-benzothiazol-2-ylthio)-n'-(3,4-dihydroxybenzylidene)acetohydrazide

Structural Information

Molecular Formula
C16H13N3O3S2
SMILES
C1=CC=C2C(=C1)N=C(S2)SCC(=O)N/N=C/C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C16H13N3O3S2/c20-12-6-5-10(7-13(12)21)8-17-19-15(22)9-23-16-18-11-3-1-2-4-14(11)24-16/h1-8,20-21H,9H2,(H,19,22)/b17-8+
InChIKey
MSFPBEJRMJTOBA-CAOOACKPSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.03983 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.04711 176.4
[M+Na]+ 382.02905 185.4
[M-H]- 358.03255 181.8
[M+NH4]+ 377.07365 190.3
[M+K]+ 398.00299 178.3
[M+H-H2O]+ 342.03709 169.6
[M+HCOO]- 404.03803 190.8
[M+CH3COO]- 418.05368 186.7
[M+Na-2H]- 380.01450 179.6
[M]+ 359.03928 181.3
[M]- 359.04038 181.3
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.