CID 5865902

617695-04-2

Structural Information

Molecular Formula
C23H22N2O2S2
SMILES
CCC(C)N1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C)/SC1=S
InChI
InChI=1S/C23H22N2O2S2/c1-4-15(3)25-22(27)20(29-23(25)28)19-17-7-5-6-8-18(17)24(21(19)26)13-16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3/b20-19-
InChIKey
FPSGQUDDEKLYRL-VXPUYCOJSA-N
Compound name
(5Z)-3-butan-2-yl-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.11227 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.11955 201.6
[M+Na]+ 445.10149 213.5
[M+NH4]+ 440.14609 208.9
[M+K]+ 461.07543 205.4
[M-H]- 421.10499 205.8
[M+Na-2H]- 443.08694 204.8
[M]+ 422.11172 205.3
[M]- 422.11282 205.3
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.