CID 5911942

2-[(3z)-3-(3-methyl-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
C21H17N3O3S2
SMILES
CC1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)C)/C2=O
InChI
InChI=1S/C21H17N3O3S2/c1-12-7-3-5-9-14(12)22-16(25)11-24-15-10-6-4-8-13(15)17(19(24)26)18-20(27)23(2)21(28)29-18/h3-10H,11H2,1-2H3,(H,22,25)/b18-17-
InChIKey
ZSSQETXSMYFKMO-ZCXUNETKSA-N
Compound name
2-[(3Z)-3-(3-methyl-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

423.07114 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.07842 200.8
[M+Na]+ 446.06036 210.6
[M-H]- 422.06386 209.6
[M+NH4]+ 441.10496 214.0
[M+K]+ 462.03430 202.9
[M+H-H2O]+ 406.06840 195.0
[M+HCOO]- 468.06934 210.2
[M+CH3COO]- 482.08499 210.1
[M+Na-2H]- 444.04581 194.5
[M]+ 423.07059 203.5
[M]- 423.07169 203.5
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.