CID 211705

23517-81-9

Structural Information

Molecular Formula
C17H17NOS2
SMILES
CCCCC1C(=O)N(C(=S)S1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C17H17NOS2/c1-2-3-11-15-16(19)18(17(20)21-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,2-3,11H2,1H3
InChIKey
XLVKPLNMULVMOQ-UHFFFAOYSA-N
Compound name
5-butyl-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

315.07516 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08244 170.4
[M+Na]+ 338.06438 180.2
[M-H]- 314.06788 176.6
[M+NH4]+ 333.10898 188.0
[M+K]+ 354.03832 173.1
[M+H-H2O]+ 298.07242 164.3
[M+HCOO]- 360.07336 180.7
[M+CH3COO]- 374.08901 181.6
[M+Na-2H]- 336.04983 168.3
[M]+ 315.07461 173.2
[M]- 315.07571 173.2
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.