CID 9576753

1-((4,9-dimethoxy-5h-furo(3,2-g)(1)benzopyran-5-on-7-yl)methylene)thiosemicarbazone

Structural Information

Molecular Formula
C15H13N3O5S
SMILES
COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)/C=N/NC(=S)N
InChI
InChI=1S/C15H13N3O5S/c1-20-11-8-3-4-22-12(8)14(21-2)13-10(11)9(19)5-7(23-13)6-17-18-15(16)24/h3-6H,1-2H3,(H3,16,18,24)/b17-6+
InChIKey
QSLILLASGLAGLN-UBKPWBPPSA-N
Compound name
[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-7-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0576 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.06488 177.4
[M+Na]+ 370.04682 188.2
[M-H]- 346.05032 186.4
[M+NH4]+ 365.09142 192.5
[M+K]+ 386.02076 186.8
[M+H-H2O]+ 330.05486 170.7
[M+HCOO]- 392.05580 199.0
[M+CH3COO]- 406.07145 219.6
[M+Na-2H]- 368.03227 183.0
[M]+ 347.05705 187.6
[M]- 347.05815 187.6
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.