CID 5848203

611185-71-8

Structural Information

Molecular Formula
C17H18N2O2S2
SMILES
CCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)C)/SC1=S
InChI
InChI=1S/C17H18N2O2S2/c1-3-4-7-10-19-16(21)14(23-17(19)22)13-11-8-5-6-9-12(11)18(2)15(13)20/h5-6,8-9H,3-4,7,10H2,1-2H3/b14-13-
InChIKey
FSDYSNDTKVDWEU-YPKPFQOOSA-N
Compound name
(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.08096 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08824 184.5
[M+Na]+ 369.07018 194.6
[M+NH4]+ 364.11478 191.7
[M+K]+ 385.04412 187.1
[M-H]- 345.07368 186.2
[M+Na-2H]- 367.05563 185.1
[M]+ 346.08041 187.1
[M]- 346.08151 187.1
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.