CID 129670

5,8-dihydroxy-2-(2-phenylethyl)chromone

Structural Information

Molecular Formula
C17H14O4
SMILES
C1=CC=C(C=C1)CCC2=CC(=O)C3=C(C=CC(=C3O2)O)O
InChI
InChI=1S/C17H14O4/c18-13-8-9-14(19)17-16(13)15(20)10-12(21-17)7-6-11-4-2-1-3-5-11/h1-5,8-10,18-19H,6-7H2
InChIKey
NKMJZJDVLMDPGO-UHFFFAOYSA-N
Compound name
5,8-dihydroxy-2-(2-phenylethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

380
Patents

282.0892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09648 161.8
[M+Na]+ 305.07842 171.4
[M-H]- 281.08192 168.4
[M+NH4]+ 300.12302 176.3
[M+K]+ 321.05236 167.5
[M+H-H2O]+ 265.08646 154.3
[M+HCOO]- 327.08740 181.9
[M+CH3COO]- 341.10305 196.4
[M+Na-2H]- 303.06387 168.5
[M]+ 282.08865 164.3
[M]- 282.08975 164.3
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.