CID 5941144

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

Structural Information

Molecular Formula
C26H27N3O4S2
SMILES
CCOCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=C(C=C4)C)C)/SC1=S
InChI
InChI=1S/C26H27N3O4S2/c1-4-33-13-7-12-28-25(32)23(35-26(28)34)22-19-8-5-6-9-20(19)29(24(22)31)15-21(30)27-18-11-10-16(2)17(3)14-18/h5-6,8-11,14H,4,7,12-13,15H2,1-3H3,(H,27,30)/b23-22-
InChIKey
FZFYOPQCWBMGNC-FCQUAONHSA-N
Compound name
N-(3,4-dimethylphenyl)-2-[(3Z)-3-[3-(3-ethoxypropyl)-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

509.1443 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.15158 223.3
[M+Na]+ 532.13352 230.8
[M-H]- 508.13702 231.2
[M+NH4]+ 527.17812 232.9
[M+K]+ 548.10746 223.0
[M+H-H2O]+ 492.14156 216.8
[M+HCOO]- 554.14250 231.0
[M+CH3COO]- 568.15815 243.3
[M+Na-2H]- 530.11897 214.9
[M]+ 509.14375 229.1
[M]- 509.14485 229.1
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.