CID 1862403

462626-66-0

Structural Information

Molecular Formula
C20H16N2O3S2
SMILES
C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C20H16N2O3S2/c1-13(11-14-5-3-2-4-6-14)12-17-19(25)22(20(26)27-17)21-18(24)15-7-9-16(23)10-8-15/h2-12,23H,1H3,(H,21,24)/b13-11+,17-12-
InChIKey
FCMXIGIBNGBWOZ-YMGXUNRSSA-N
Compound name
4-hydroxy-N-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

396.06024 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.067516 192.7
[M+Na]+ 419.049458 199.2
[M-H]- 395.052964 199.4
[M+NH4]+ 414.094063 203.9
[M+K]+ 435.023398 190.7
[M+H-H2O]+ 379.057500 185.5
[M+HCOO]- 441.058441 201.7
[M+CH3COO]- 455.074091 216.3
[M+Na-2H]- 417.034906 187.8
[M]+ 396.05969142 191.8
[M]- 396.06078858 191.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.