CID 1585114

N-[(5z)-5-(3-hydroxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2-methylbenzamide

Structural Information

Molecular Formula
C18H14N2O3S2
SMILES
CC1=CC=CC=C1C(=O)NN2C(=O)/C(=C/C3=CC(=CC=C3)O)/SC2=S
InChI
InChI=1S/C18H14N2O3S2/c1-11-5-2-3-8-14(11)16(22)19-20-17(23)15(25-18(20)24)10-12-6-4-7-13(21)9-12/h2-10,21H,1H3,(H,19,22)/b15-10-
InChIKey
WDJAKWMNSLPQDL-GDNBJRDFSA-N
Compound name
N-[(5Z)-5-[(3-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.0446 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.051876 184.6
[M+Na]+ 393.033818 192.8
[M-H]- 369.037324 191.9
[M+NH4]+ 388.078423 197.2
[M+K]+ 409.007758 184.7
[M+H-H2O]+ 353.041860 177.6
[M+HCOO]- 415.042801 195.1
[M+CH3COO]- 429.058451 212.2
[M+Na-2H]- 391.019266 180.8
[M]+ 370.04405142 184.8
[M]- 370.04514858 184.8
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.