CID 5923721

2-[(3z)-3-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]-n-(2,5-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C28H23N3O3S2
SMILES
CC1=CC(=C(C=C1)C)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CC5=CC=CC=C5)/C2=O
InChI
InChI=1S/C28H23N3O3S2/c1-17-12-13-18(2)21(14-17)29-23(32)16-30-22-11-7-6-10-20(22)24(26(30)33)25-27(34)31(28(35)36-25)15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3,(H,29,32)/b25-24-
InChIKey
BHVIEUXGTDBWPR-IZHYLOQSSA-N
Compound name
2-[(3Z)-3-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2,5-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.1181 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.12538 225.0
[M+Na]+ 536.10732 233.7
[M-H]- 512.11082 236.4
[M+NH4]+ 531.15192 234.2
[M+K]+ 552.08126 224.7
[M+H-H2O]+ 496.11536 217.9
[M+HCOO]- 558.11630 233.6
[M+CH3COO]- 572.13195 232.5
[M+Na-2H]- 534.09277 217.3
[M]+ 513.11755 227.8
[M]- 513.11865 227.8
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.