CID 5202711

Oprea1_668912

Structural Information

Molecular Formula
C21H18N2O2S2
SMILES
CCCN1C2=CC=CC=C2C(=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)C1=O
InChI
InChI=1S/C21H18N2O2S2/c1-2-12-22-16-11-7-6-10-15(16)17(19(22)24)18-20(25)23(21(26)27-18)13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKey
LSPWWMCSLIMHMK-UHFFFAOYSA-N
Compound name
3-benzyl-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

394.08096 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.08824 193.3
[M+Na]+ 417.07018 205.7
[M+NH4]+ 412.11478 201.2
[M+K]+ 433.04412 197.0
[M-H]- 393.07368 197.8
[M+Na-2H]- 415.05563 197.4
[M]+ 394.08041 197.2
[M]- 394.08151 197.2
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

No patent data available for this compound.