CID 3066815

4,9-dimethoxy-7-((phenylimino)methyl)-5h-furo(3,2-g)(1)benzopyran-5-one

Structural Information

Molecular Formula
C20H15NO5
SMILES
COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)OC)C=NC4=CC=CC=C4
InChI
InChI=1S/C20H15NO5/c1-23-17-14-8-9-25-18(14)20(24-2)19-16(17)15(22)10-13(26-19)11-21-12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey
UUMGJRMKFRIBQU-UHFFFAOYSA-N
Compound name
4,9-dimethoxy-7-(phenyliminomethyl)furo[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.09503 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10231 179.0
[M+Na]+ 372.08425 191.0
[M-H]- 348.08775 191.7
[M+NH4]+ 367.12885 194.0
[M+K]+ 388.05819 189.4
[M+H-H2O]+ 332.09229 170.8
[M+HCOO]- 394.09323 204.7
[M+CH3COO]- 408.10888 192.8
[M+Na-2H]- 370.06970 186.5
[M]+ 349.09448 189.6
[M]- 349.09558 189.6
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.