CID 9588985

Hydrazinecarbothioamide, 2-((4,9-dimethoxy-5-oxo-5h-furo(3,2-g)(1)benzopyran-7-yl)methylene)-n-ethyl-

Structural Information

Molecular Formula
C17H17N3O5S
SMILES
CCNC(=S)N/N=C/C1=CC(=O)C2=C(C3=C(C(=C2O1)OC)OC=C3)OC
InChI
InChI=1S/C17H17N3O5S/c1-4-18-17(26)20-19-8-9-7-11(21)12-13(22-2)10-5-6-24-14(10)16(23-3)15(12)25-9/h5-8H,4H2,1-3H3,(H2,18,20,26)/b19-8+
InChIKey
HXBJLWDPJSPGCS-UFWORHAWSA-N
Compound name
1-[(E)-(4,9-dimethoxy-5-oxofuro[3,2-g]chromen-7-yl)methylideneamino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0889 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.096176 186.4
[M+Na]+ 398.078118 196.4
[M-H]- 374.081624 195.5
[M+NH4]+ 393.122723 200.7
[M+K]+ 414.052058 194.9
[M+H-H2O]+ 358.086160 179.3
[M+HCOO]- 420.087101 208.0
[M+CH3COO]- 434.102751 225.3
[M+Na-2H]- 396.063566 192.0
[M]+ 375.08835142 198.0
[M]- 375.08944858 198.0
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.