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 173.7
[M+Na]+ 366.03414 182.9
[M-H]- 342.03764 180.2
[M+NH4]+ 361.07874 188.9
[M+K]+ 382.00808 175.9
[M+H-H2O]+ 326.04218 166.5
[M+HCOO]- 388.04312 189.5
[M+CH3COO]- 402.05877 184.6
[M+Na-2H]- 364.01959 177.4
[M]+ 343.04437 178.6
[M]- 343.04547 178.6
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.