CID 208406

32081-51-9

Structural Information

Molecular Formula
C11H10N2OS2
SMILES
C1=CC=C(C=C1)SC(C2=NC=CS2)C(=O)N
InChI
InChI=1S/C11H10N2OS2/c12-10(14)9(11-13-6-7-15-11)16-8-4-2-1-3-5-8/h1-7,9H,(H2,12,14)
InChIKey
REPXMWRBOBUUCW-UHFFFAOYSA-N
Compound name
2-phenylsulfanyl-2-(1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.02345 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.030726 152.6
[M+Na]+ 273.012668 160.3
[M-H]- 249.016174 157.6
[M+NH4]+ 268.057273 170.1
[M+K]+ 288.986608 155.4
[M+H-H2O]+ 233.020710 145.8
[M+HCOO]- 295.021651 165.6
[M+CH3COO]- 309.037301 164.2
[M+Na-2H]- 270.998116 152.1
[M]+ 250.02290142 153.2
[M]- 250.02399858 153.2
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.