CID 5930270

Nsc639177

Structural Information

Molecular Formula
C17H14O4
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2)OC)/C=C/C3=CC=CO3
InChI
InChI=1S/C17H14O4/c1-11-15(8-6-12-4-3-9-20-12)21-16-10-13(19-2)5-7-14(16)17(11)18/h3-10H,1-2H3/b8-6+
InChIKey
VQELMWPPSLEFAE-SOFGYWHQSA-N
Compound name
2-[(E)-2-(furan-2-yl)ethenyl]-7-methoxy-3-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.096476 161.4
[M+Na]+ 305.078418 173.5
[M-H]- 281.081924 171.9
[M+NH4]+ 300.123023 178.2
[M+K]+ 321.052358 171.4
[M+H-H2O]+ 265.086460 155.0
[M+HCOO]- 327.087401 186.1
[M+CH3COO]- 341.103051 199.4
[M+Na-2H]- 303.063866 167.8
[M]+ 282.08865142 169.6
[M]- 282.08974858 169.6
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.