CID 1973486

(5z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C18H13NO4S2
SMILES
COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=S
InChI
InChI=1S/C18H13NO4S2/c1-21-13-5-3-12(4-6-13)19-17(20)16(25-18(19)24)9-11-2-7-14-15(8-11)23-10-22-14/h2-9H,10H2,1H3/b16-9-
InChIKey
JMXLIACXRVAMGP-SXGWCWSVSA-N
Compound name
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

371.0286 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.03588 184.3
[M+Na]+ 394.01782 195.4
[M-H]- 370.02132 196.0
[M+NH4]+ 389.06242 198.8
[M+K]+ 409.99176 191.8
[M+H-H2O]+ 354.02586 180.3
[M+HCOO]- 416.02680 195.2
[M+CH3COO]- 430.04245 196.0
[M+Na-2H]- 392.00327 181.5
[M]+ 371.02805 189.7
[M]- 371.02915 189.7
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

patents stripe