CID 6246916

2-{(3z)-3-[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1h-indol-1-yl}-n-(2-phenylethyl)acetamide

Structural Information

Molecular Formula
C26H21N3O4S2
SMILES
C1=CC=C(C=C1)CCNC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=CO5)/C2=O
InChI
InChI=1S/C26H21N3O4S2/c30-21(27-13-12-17-7-2-1-3-8-17)16-28-20-11-5-4-10-19(20)22(24(28)31)23-25(32)29(26(34)35-23)15-18-9-6-14-33-18/h1-11,14H,12-13,15-16H2,(H,27,30)/b23-22-
InChIKey
MSGGPZPDUXCOJM-FCQUAONHSA-N
Compound name
2-[(3Z)-3-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(2-phenylethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.09735 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.10463 221.3
[M+Na]+ 526.08657 229.7
[M-H]- 502.09007 234.1
[M+NH4]+ 521.13117 231.4
[M+K]+ 542.06051 223.8
[M+H-H2O]+ 486.09461 216.5
[M+HCOO]- 548.09555 231.6
[M+CH3COO]- 562.11120 229.6
[M+Na-2H]- 524.07202 213.5
[M]+ 503.09680 225.9
[M]- 503.09790 225.9
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.