CID 5901013

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

Structural Information

Molecular Formula
C25H24ClN3O3S2
SMILES
CCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4Cl)/SC1=S
InChI
InChI=1S/C25H24ClN3O3S2/c1-2-3-4-9-14-28-24(32)22(34-25(28)33)21-16-10-5-8-13-19(16)29(23(21)31)15-20(30)27-18-12-7-6-11-17(18)26/h5-8,10-13H,2-4,9,14-15H2,1H3,(H,27,30)/b22-21-
InChIKey
AXRUTLZZGMMNKW-DQRAZIAOSA-N
Compound name
N-(2-chlorophenyl)-2-[(3Z)-3-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.0948 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.10208 224.4
[M+Na]+ 536.08402 232.6
[M-H]- 512.08752 232.4
[M+NH4]+ 531.12862 234.8
[M+K]+ 552.05796 223.4
[M+H-H2O]+ 496.09206 218.4
[M+HCOO]- 558.09300 228.0
[M+CH3COO]- 572.10865 240.3
[M+Na-2H]- 534.06947 216.0
[M]+ 513.09425 230.1
[M]- 513.09535 230.1
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.