CID 3065491

Brn 5593035

Structural Information

Molecular Formula
C19H14O4
SMILES
CC1=CC2=C(C=C1)OC(=C2)C3=CC(=O)OC4=C3C=CC(=C4)OC
InChI
InChI=1S/C19H14O4/c1-11-3-6-16-12(7-11)8-17(22-16)15-10-19(20)23-18-9-13(21-2)4-5-14(15)18/h3-10H,1-2H3
InChIKey
QLMRVSRMGTUISS-UHFFFAOYSA-N
Compound name
7-methoxy-4-(5-methyl-1-benzofuran-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.096476 167.7
[M+Na]+ 329.078418 180.7
[M-H]- 305.081924 179.5
[M+NH4]+ 324.123023 184.5
[M+K]+ 345.052358 178.4
[M+H-H2O]+ 289.086460 160.8
[M+HCOO]- 351.087401 191.1
[M+CH3COO]- 365.103051 182.2
[M+Na-2H]- 327.063866 174.8
[M]+ 306.08865142 176.4
[M]- 306.08974858 176.4
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.