CID 211846

23605-93-8

Structural Information

Molecular Formula
C16H15NOS2
SMILES
CCCC1C(=O)N(C(=S)S1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C16H15NOS2/c1-2-6-14-15(18)17(16(19)20-14)13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10,14H,2,6H2,1H3
InChIKey
OZJRLXOZBCLKCE-UHFFFAOYSA-N
Compound name
3-naphthalen-1-yl-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0595 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06678 166.2
[M+Na]+ 324.04872 176.4
[M-H]- 300.05222 172.6
[M+NH4]+ 319.09332 184.4
[M+K]+ 340.02266 169.6
[M+H-H2O]+ 284.05676 160.3
[M+HCOO]- 346.05770 176.8
[M+CH3COO]- 360.07335 177.8
[M+Na-2H]- 322.03417 164.6
[M]+ 301.05895 168.7
[M]- 301.06005 168.7
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.