CID 211704

23517-80-8

Structural Information

Molecular Formula
C15H13NOS2
SMILES
CCC1C(=O)N(C(=S)S1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C15H13NOS2/c1-2-13-14(17)16(15(18)19-13)12-9-5-7-10-6-3-4-8-11(10)12/h3-9,13H,2H2,1H3
InChIKey
KYHKTKHLTAXSLK-UHFFFAOYSA-N
Compound name
5-ethyl-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.04385 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.051126 162.0
[M+Na]+ 310.033068 172.7
[M-H]- 286.036574 168.6
[M+NH4]+ 305.077673 180.8
[M+K]+ 326.007008 166.0
[M+H-H2O]+ 270.041110 156.3
[M+HCOO]- 332.042051 173.0
[M+CH3COO]- 346.057701 174.0
[M+Na-2H]- 308.018516 160.8
[M]+ 287.04330142 164.2
[M]- 287.04439858 164.2
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.