CID 3075760

2-(4,9-dimethoxy-5-oxo-5h-furo(3,2-g)(1)benzopyran-7-yl)-3-phenyl-4-thiazolidinone

Structural Information

Molecular Formula
C22H17NO6S
SMILES
COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)C4N(C(=O)CS4)C5=CC=CC=C5
InChI
InChI=1S/C22H17NO6S/c1-26-18-13-8-9-28-19(13)21(27-2)20-17(18)14(24)10-15(29-20)22-23(16(25)11-30-22)12-6-4-3-5-7-12/h3-10,22H,11H2,1-2H3
InChIKey
NGOYBOCVOWFEPD-UHFFFAOYSA-N
Compound name
2-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-7-yl)-3-phenyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.07767 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.08495 196.7
[M+Na]+ 446.06689 209.1
[M-H]- 422.07039 210.6
[M+NH4]+ 441.11149 209.6
[M+K]+ 462.04083 207.2
[M+H-H2O]+ 406.07493 190.9
[M+HCOO]- 468.07587 213.2
[M+CH3COO]- 482.09152 209.0
[M+Na-2H]- 444.05234 196.5
[M]+ 423.07712 207.9
[M]- 423.07822 207.9
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.