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]+ 291.10158 164.6
[M+Na]+ 313.08352 177.8
[M-H]- 289.08702 176.4
[M+NH4]+ 308.12812 182.1
[M+K]+ 329.05746 174.8
[M+H-H2O]+ 273.09156 157.8
[M+HCOO]- 335.09250 187.8
[M+CH3COO]- 349.10815 179.3
[M+Na-2H]- 311.06897 171.6
[M]+ 290.09375 171.8
[M]- 290.09485 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.