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]+ 288.05113 162.0
[M+Na]+ 310.03307 172.7
[M-H]- 286.03657 168.6
[M+NH4]+ 305.07767 180.8
[M+K]+ 326.00701 166.0
[M+H-H2O]+ 270.04111 156.3
[M+HCOO]- 332.04205 173.0
[M+CH3COO]- 346.05770 174.0
[M+Na-2H]- 308.01852 160.8
[M]+ 287.04330 164.2
[M]- 287.04440 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.