CID 44785330

438458-78-7

Structural Information

Molecular Formula
C18H20N2O2S2
SMILES
CCCN1C2=CC=CC=C2/C(=C\3/C(=O)N(C(=S)S3)CC(C)C)/C1=O
InChI
InChI=1S/C18H20N2O2S2/c1-4-9-19-13-8-6-5-7-12(13)14(16(19)21)15-17(22)20(10-11(2)3)18(23)24-15/h5-8,11H,4,9-10H2,1-3H3/b15-14+
InChIKey
VAJIYVNNHYQNKP-CCEZHUSRSA-N
Compound name
(5E)-3-(2-methylpropyl)-5-(2-oxo-1-propylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.09662 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.10390 188.0
[M+Na]+ 383.08584 197.5
[M+NH4]+ 378.13044 194.9
[M+K]+ 399.05978 190.6
[M-H]- 359.08934 189.4
[M+Na-2H]- 381.07129 188.2
[M]+ 360.09607 190.4
[M]- 360.09717 190.4
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.