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]+ 283.09648 161.4
[M+Na]+ 305.07842 173.5
[M-H]- 281.08192 171.9
[M+NH4]+ 300.12302 178.2
[M+K]+ 321.05236 171.4
[M+H-H2O]+ 265.08646 155.0
[M+HCOO]- 327.08740 186.1
[M+CH3COO]- 341.10305 199.4
[M+Na-2H]- 303.06387 167.8
[M]+ 282.08865 169.6
[M]- 282.08975 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.