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]+ 371.05188 184.6
[M+Na]+ 393.03382 192.8
[M-H]- 369.03732 191.9
[M+NH4]+ 388.07842 197.2
[M+K]+ 409.00776 184.7
[M+H-H2O]+ 353.04186 177.6
[M+HCOO]- 415.04280 195.1
[M+CH3COO]- 429.05845 212.2
[M+Na-2H]- 391.01927 180.8
[M]+ 370.04405 184.8
[M]- 370.04515 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.