CID 5484603

2-(2-mercaptoacetamido)benzothiazolyl acetate silver salt

Structural Information

Molecular Formula
C11H10N2O2S2
SMILES
CC(=O)S/C=C(/NC1=NC2=CC=CC=C2S1)\O
InChI
InChI=1S/C11H10N2O2S2/c1-7(14)16-6-10(15)13-11-12-8-4-2-3-5-9(8)17-11/h2-6,15H,1H3,(H,12,13)/b10-6-
InChIKey
SUJYHVUFHHHJQI-POHAHGRESA-N
Compound name
S-[(Z)-2-(1,3-benzothiazol-2-ylamino)-2-hydroxyethenyl] ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.01837 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02565 155.2
[M+Na]+ 289.00759 164.2
[M-H]- 265.01109 157.4
[M+NH4]+ 284.05219 173.2
[M+K]+ 304.98153 158.7
[M+H-H2O]+ 249.01563 149.6
[M+HCOO]- 311.01657 167.3
[M+CH3COO]- 325.03222 191.7
[M+Na-2H]- 286.99304 156.7
[M]+ 266.01782 158.7
[M]- 266.01892 158.7
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.