CID 1388465

301223-59-6

Structural Information

Molecular Formula
C18H14N2O4S2
SMILES
COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C18H14N2O4S2/c1-24-14-9-11(7-8-13(14)21)10-15-17(23)20(18(25)26-15)19-16(22)12-5-3-2-4-6-12/h2-10,21H,1H3,(H,19,22)/b15-10+
InChIKey
VDFKAYNLSBBGOT-XNTDXEJSSA-N
Compound name
N-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.0395 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.04678 187.7
[M+Na]+ 409.02872 195.5
[M-H]- 385.03222 194.9
[M+NH4]+ 404.07332 199.5
[M+K]+ 425.00266 188.1
[M+H-H2O]+ 369.03676 180.6
[M+HCOO]- 431.03770 198.4
[M+CH3COO]- 445.05335 214.4
[M+Na-2H]- 407.01417 184.3
[M]+ 386.03895 189.2
[M]- 386.04005 189.2
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.