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]+ 277.12230 162.9
[M+Na]+ 299.10424 173.3
[M-H]- 275.10774 171.9
[M+NH4]+ 294.14884 179.3
[M+K]+ 315.07818 168.7
[M+H-H2O]+ 259.11228 155.0
[M+HCOO]- 321.11322 185.3
[M+CH3COO]- 335.12887 176.1
[M+Na-2H]- 297.08969 169.2
[M]+ 276.11447 165.9
[M]- 276.11557 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.