CID 5890354

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

Structural Information

Molecular Formula
C22H19N3O3S2
SMILES
CC1=CC(=C(C=C1)C)NC(=O)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)C)/C2=O
InChI
InChI=1S/C22H19N3O3S2/c1-12-8-9-13(2)15(10-12)23-17(26)11-25-16-7-5-4-6-14(16)18(20(25)27)19-21(28)24(3)22(29)30-19/h4-10H,11H2,1-3H3,(H,23,26)/b19-18-
InChIKey
APHLZUBUMBLUAH-HNENSFHCSA-N
Compound name
N-(2,5-dimethylphenyl)-2-[(3Z)-3-(3-methyl-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

437.0868 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.094076 204.8
[M+Na]+ 460.076018 214.8
[M-H]- 436.079524 213.7
[M+NH4]+ 455.120623 217.7
[M+K]+ 476.049958 207.0
[M+H-H2O]+ 420.084060 199.2
[M+HCOO]- 482.085001 213.8
[M+CH3COO]- 496.100651 213.9
[M+Na-2H]- 458.061466 197.5
[M]+ 437.08625142 208.2
[M]- 437.08734858 208.2
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.