CID 5468077

Nsc663794

Structural Information

Molecular Formula
C20H19N3O3S
SMILES
C=CCN\1C(=O)CS/C1=N\NC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H19N3O3S/c1-2-13-23-17(24)14-27-19(23)22-21-18(25)20(26,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12,26H,1,13-14H2,(H,21,25)/b22-19-
InChIKey
QEIRGPFASQRMME-QOCHGBHMSA-N
Compound name
2-hydroxy-N-[(Z)-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.11472 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.12200 190.3
[M+Na]+ 404.10394 194.8
[M-H]- 380.10744 198.2
[M+NH4]+ 399.14854 201.7
[M+K]+ 420.07788 189.0
[M+H-H2O]+ 364.11198 181.5
[M+HCOO]- 426.11292 206.6
[M+CH3COO]- 440.12857 218.0
[M+Na-2H]- 402.08939 190.9
[M]+ 381.11417 189.3
[M]- 381.11527 189.3
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.