CID 3065489

Brn 5580299

Structural Information

Molecular Formula
C19H14O3
SMILES
CC1=CC2=C(C=C1)OC(=C2)C3=CC(=O)OC4=C3C=CC(=C4)C
InChI
InChI=1S/C19H14O3/c1-11-4-6-16-13(7-11)9-18(21-16)15-10-19(20)22-17-8-12(2)3-5-14(15)17/h3-10H,1-2H3
InChIKey
SNFXIUZTLHFAAD-UHFFFAOYSA-N
Compound name
7-methyl-4-(5-methyl-1-benzofuran-2-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.101576 164.6
[M+Na]+ 313.083518 177.8
[M-H]- 289.087024 176.4
[M+NH4]+ 308.128123 182.1
[M+K]+ 329.057458 174.8
[M+H-H2O]+ 273.091560 157.8
[M+HCOO]- 335.092501 187.8
[M+CH3COO]- 349.108151 179.3
[M+Na-2H]- 311.068966 171.6
[M]+ 290.09375142 171.8
[M]- 290.09484858 171.8
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.