CID 9588989

201747-29-7

Structural Information

Molecular Formula
C19H17N3O6S
SMILES
CCN1CC(=O)N(C1=S)/N=C/C2=CC(=O)C3=C(C4=C(C(=C3O2)OC)OC=C4)OC
InChI
InChI=1S/C19H17N3O6S/c1-4-21-9-13(24)22(19(21)29)20-8-10-7-12(23)14-15(25-2)11-5-6-27-16(11)18(26-3)17(14)28-10/h5-8H,4,9H2,1-3H3/b20-8+
InChIKey
TZINNODXPXMVLP-DNTJNYDQSA-N
Compound name
3-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-7-yl)methylideneamino]-1-ethyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.0838 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.09108 196.4
[M+Na]+ 438.07302 209.4
[M-H]- 414.07652 207.2
[M+NH4]+ 433.11762 209.1
[M+K]+ 454.04696 207.3
[M+H-H2O]+ 398.08106 190.5
[M+HCOO]- 460.08200 213.8
[M+CH3COO]- 474.09765 228.7
[M+Na-2H]- 436.05847 196.0
[M]+ 415.08325 209.6
[M]- 415.08435 209.6
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.