CID 211641

23509-60-6

Structural Information

Molecular Formula
C14H17NO3S2
SMILES
CC(=O)OCCC1C(N(C(=S)S1)C2=CC=CC=C2)(C)O
InChI
InChI=1S/C14H17NO3S2/c1-10(16)18-9-8-12-14(2,17)15(13(19)20-12)11-6-4-3-5-7-11/h3-7,12,17H,8-9H2,1-2H3
InChIKey
TYVJTSMKBQREAZ-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.06497 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.07225 167.7
[M+Na]+ 334.05419 175.6
[M-H]- 310.05769 171.5
[M+NH4]+ 329.09879 185.1
[M+K]+ 350.02813 170.6
[M+H-H2O]+ 294.06223 162.5
[M+HCOO]- 356.06317 176.6
[M+CH3COO]- 370.07882 198.5
[M+Na-2H]- 332.03964 165.4
[M]+ 311.06442 170.7
[M]- 311.06552 170.7
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.