CID 135512040

2-((4,9-dimethoxy-5h-furo(3,2-g)(1)benzopyran-5-on-7-yl)methylenehydrazino)thiazolidin-4-one

Structural Information

Molecular Formula
C17H13N3O6S
SMILES
COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)/C=N/N=C\4/NC(=O)CS4
InChI
InChI=1S/C17H13N3O6S/c1-23-13-9-3-4-25-14(9)16(24-2)15-12(13)10(21)5-8(26-15)6-18-20-17-19-11(22)7-27-17/h3-6H,7H2,1-2H3,(H,19,20,22)/b18-6+
InChIKey
GUMBRQBJGMBJPW-NGYBGAFCSA-N
Compound name
(2Z)-2-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-7-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.05252 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.05980 185.1
[M+Na]+ 410.04174 196.6
[M-H]- 386.04524 196.8
[M+NH4]+ 405.08634 199.5
[M+K]+ 426.01568 195.0
[M+H-H2O]+ 370.04978 179.4
[M+HCOO]- 432.05072 205.6
[M+CH3COO]- 446.06637 197.8
[M+Na-2H]- 408.02719 188.5
[M]+ 387.05197 195.7
[M]- 387.05307 195.7
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

No patent data available for this compound.