CID 6268156

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

Structural Information

Molecular Formula
C25H26N2O2S2
SMILES
CCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C)/SC1=S
InChI
InChI=1S/C25H26N2O2S2/c1-3-4-5-8-15-26-24(29)22(31-25(26)30)21-19-9-6-7-10-20(19)27(23(21)28)16-18-13-11-17(2)12-14-18/h6-7,9-14H,3-5,8,15-16H2,1-2H3/b22-21-
InChIKey
YYWQRQQEEZQIGA-DQRAZIAOSA-N
Compound name
(5Z)-3-hexyl-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

450.1436 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.15088 210.6
[M+Na]+ 473.13282 220.1
[M-H]- 449.13632 218.8
[M+NH4]+ 468.17742 223.5
[M+K]+ 489.10676 211.2
[M+H-H2O]+ 433.14086 204.2
[M+HCOO]- 495.14180 218.7
[M+CH3COO]- 509.15745 219.2
[M+Na-2H]- 471.11827 201.7
[M]+ 450.14305 215.1
[M]- 450.14415 215.1
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.