CID 6437299

3-methyl-2-phenyl-8-(1-propenyl)-4-benzopyrone

Structural Information

Molecular Formula
C19H16O2
SMILES
C/C=C/C1=C2C(=CC=C1)C(=O)C(=C(O2)C3=CC=CC=C3)C
InChI
InChI=1S/C19H16O2/c1-3-8-14-11-7-12-16-17(20)13(2)18(21-19(14)16)15-9-5-4-6-10-15/h3-12H,1-2H3/b8-3+
InChIKey
FDZILCXQMSTFED-FPYGCLRLSA-N
Compound name
3-methyl-2-phenyl-8-[(E)-prop-1-enyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.11502 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.122296 162.9
[M+Na]+ 299.104238 173.3
[M-H]- 275.107744 171.9
[M+NH4]+ 294.148843 179.3
[M+K]+ 315.078178 168.7
[M+H-H2O]+ 259.112280 155.0
[M+HCOO]- 321.113221 185.3
[M+CH3COO]- 335.128871 176.1
[M+Na-2H]- 297.089686 169.2
[M]+ 276.11447142 165.9
[M]- 276.11556858 165.9
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.