CID 9588987

201747-25-3

Structural Information

Molecular Formula
C17H13N3O6S
SMILES
COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)/C=N/N4C(=O)CNC4=S
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)6-19-20-11(22)7-18-17(20)27/h3-6H,7H2,1-2H3,(H,18,27)/b19-6+
InChIKey
FZHZXJMTQRGCPS-KPSZGOFPSA-N
Compound name
3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-7-yl)methylideneamino]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.05252 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.05980 186.7
[M+Na]+ 410.04174 199.4
[M-H]- 386.04524 196.1
[M+NH4]+ 405.08634 199.6
[M+K]+ 426.01568 196.9
[M+H-H2O]+ 370.04978 181.2
[M+HCOO]- 432.05072 203.4
[M+CH3COO]- 446.06637 198.8
[M+Na-2H]- 408.02719 187.6
[M]+ 387.05197 197.2
[M]- 387.05307 197.2
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.