CID 5942870

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

Structural Information

Molecular Formula
C23H22N2O2S2
SMILES
CC1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC(C)C)/C2=O
InChI
InChI=1S/C23H22N2O2S2/c1-14(2)12-25-22(27)20(29-23(25)28)19-17-6-4-5-7-18(17)24(21(19)26)13-16-10-8-15(3)9-11-16/h4-11,14H,12-13H2,1-3H3/b20-19-
InChIKey
UOYSKZCUVBSZOB-VXPUYCOJSA-N
Compound name
(5Z)-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-3-(2-methylpropyl)-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 202.4
[M+Na]+ 445.10149 212.4
[M-H]- 421.10499 211.0
[M+NH4]+ 440.14609 216.2
[M+K]+ 461.07543 204.4
[M+H-H2O]+ 405.10953 196.6
[M+HCOO]- 467.11047 210.0
[M+CH3COO]- 481.12612 211.7
[M+Na-2H]- 443.08694 193.6
[M]+ 422.11172 205.8
[M]- 422.11282 205.8
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.