CID 5928954

(3z)-3-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1-(4-methylbenzyl)-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C22H20N2O2S2
SMILES
CC1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)C(C)C)/C2=O
InChI
InChI=1S/C22H20N2O2S2/c1-13(2)24-21(26)19(28-22(24)27)18-16-6-4-5-7-17(16)23(20(18)25)12-15-10-8-14(3)9-11-15/h4-11,13H,12H2,1-3H3/b19-18-
InChIKey
BLJQDEJMRPHLNC-HNENSFHCSA-N
Compound name
(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.09662 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.10390 197.6
[M+Na]+ 431.08584 209.6
[M+NH4]+ 426.13044 205.1
[M+K]+ 447.05978 201.8
[M-H]- 407.08934 201.9
[M+Na-2H]- 429.07129 201.0
[M]+ 408.09607 201.4
[M]- 408.09717 201.4
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.