CID 3006225

Schembl6785476

Structural Information

Molecular Formula
C17H15NOS3
SMILES
CCCC1=CC=C(C=C1)C2=CC=C(S2)C=C3C(=O)NC(=S)S3
InChI
InChI=1S/C17H15NOS3/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(21-14)10-15-16(19)18-17(20)22-15/h4-10H,2-3H2,1H3,(H,18,19,20)
InChIKey
KJTRHFHKEAZWME-UHFFFAOYSA-N
Compound name
5-[[5-(4-propylphenyl)thiophen-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

345.0316 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.03888 179.1
[M+Na]+ 368.02082 189.7
[M-H]- 344.02432 186.3
[M+NH4]+ 363.06542 195.6
[M+K]+ 383.99476 180.3
[M+H-H2O]+ 328.02886 174.6
[M+HCOO]- 390.02980 185.3
[M+CH3COO]- 404.04545 189.3
[M+Na-2H]- 366.00627 172.7
[M]+ 345.03105 179.2
[M]- 345.03215 179.2
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

patents stripe