CID 5830770

N-(2-chlorophenyl)-2-{(3z)-2-oxo-3-[4-oxo-3-(tetrahydro-2-furanylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1h-indol-1-yl}acetamide

Structural Information

Molecular Formula
C24H20ClN3O4S2
SMILES
C1CC(OC1)CN2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC=CC=C5Cl)/SC2=S
InChI
InChI=1S/C24H20ClN3O4S2/c25-16-8-2-3-9-17(16)26-19(29)13-27-18-10-4-1-7-15(18)20(22(27)30)21-23(31)28(24(33)34-21)12-14-6-5-11-32-14/h1-4,7-10,14H,5-6,11-13H2,(H,26,29)/b21-20-
InChIKey
NBIMCWASKXKSCI-MRCUWXFGSA-N
Compound name
N-(2-chlorophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.05835 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.06563 216.2
[M+Na]+ 536.04757 226.0
[M+NH4]+ 531.09217 222.3
[M+K]+ 552.02151 221.1
[M-H]- 512.05107 222.3
[M+Na-2H]- 534.03302 218.8
[M]+ 513.05780 220.2
[M]- 513.05890 220.2
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.