CID 1870624

306732-72-9

Structural Information

Molecular Formula
C16H17NO2S2
SMILES
COCCCN1C(=O)/C(=C/C=C/C2=CC=CC=C2)/SC1=S
InChI
InChI=1S/C16H17NO2S2/c1-19-12-6-11-17-15(18)14(21-16(17)20)10-5-9-13-7-3-2-4-8-13/h2-5,7-10H,6,11-12H2,1H3/b9-5+,14-10-
InChIKey
WOKYEAQTOMJICJ-MWEMGACCSA-N
Compound name
(5Z)-3-(3-methoxypropyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.07007 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07735 173.6
[M+Na]+ 342.05929 181.8
[M-H]- 318.06279 178.6
[M+NH4]+ 337.10389 189.7
[M+K]+ 358.03323 174.6
[M+H-H2O]+ 302.06733 167.0
[M+HCOO]- 364.06827 184.7
[M+CH3COO]- 378.08392 202.2
[M+Na-2H]- 340.04474 169.3
[M]+ 319.06952 176.3
[M]- 319.07062 176.3
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.