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

478
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

literature stripe

Patent stripe

patents stripe