CID 5854152

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

Structural Information

Molecular Formula
C23H21N3O4S2
SMILES
CC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CCOC)/C2=O
InChI
InChI=1S/C23H21N3O4S2/c1-14-7-3-5-9-16(14)24-18(27)13-26-17-10-6-4-8-15(17)19(21(26)28)20-22(29)25(11-12-30-2)23(31)32-20/h3-10H,11-13H2,1-2H3,(H,24,27)/b20-19-
InChIKey
YSKOFZYICHXANX-VXPUYCOJSA-N
Compound name
2-[(3Z)-3-[3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.09735 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.10463 211.5
[M+Na]+ 490.08657 219.7
[M-H]- 466.09007 219.7
[M+NH4]+ 485.13117 222.6
[M+K]+ 506.06051 212.5
[M+H-H2O]+ 450.09461 205.3
[M+HCOO]- 512.09555 220.4
[M+CH3COO]- 526.11120 233.6
[M+Na-2H]- 488.07202 204.8
[M]+ 467.09680 216.0
[M]- 467.09790 216.0
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.