CID 442342

Davidigenin

Structural Information

Molecular Formula
C15H14O4
SMILES
C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2)O)O)O
InChI
InChI=1S/C15H14O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-2,4-7,9,16-17,19H,3,8H2
InChIKey
UDGKKUWYNITJRX-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

336
Patents

258.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.7
[M+Na]+ 281.07842 164.0
[M-H]- 257.08192 160.0
[M+NH4]+ 276.12302 171.5
[M+K]+ 297.05236 159.7
[M+H-H2O]+ 241.08646 150.0
[M+HCOO]- 303.08740 176.2
[M+CH3COO]- 317.10305 189.5
[M+Na-2H]- 279.06387 159.5
[M]+ 258.08865 156.2
[M]- 258.08975 156.2
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