CID 1555563

307525-12-8

Structural Information

Molecular Formula
C17H13NO2S2
SMILES
COC1=CC=CC=C1N2C(=O)/C(=C/C3=CC=CC=C3)/SC2=S
InChI
InChI=1S/C17H13NO2S2/c1-20-14-10-6-5-9-13(14)18-16(19)15(22-17(18)21)11-12-7-3-2-4-8-12/h2-11H,1H3/b15-11-
InChIKey
VNNHFTNMQITAFU-PTNGSMBKSA-N
Compound name
(5Z)-5-benzylidene-3-(2-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.03876 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.04604 174.1
[M+Na]+ 350.02798 184.1
[M-H]- 326.03148 183.0
[M+NH4]+ 345.07258 189.8
[M+K]+ 366.00192 176.7
[M+H-H2O]+ 310.03602 167.2
[M+HCOO]- 372.03696 186.4
[M+CH3COO]- 386.05261 185.4
[M+Na-2H]- 348.01343 171.1
[M]+ 327.03821 176.0
[M]- 327.03931 176.0
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.