CID 42607886

Pinocembrin 7-[4-(1-hydroxyethyl)phenyl] ether

Structural Information

Molecular Formula
C23H20O5
SMILES
CC(C1=CC=C(C=C1)OC2=CC(=C3C(=O)CC(OC3=C2)C4=CC=CC=C4)O)O
InChI
InChI=1S/C23H20O5/c1-14(24)15-7-9-17(10-8-15)27-18-11-19(25)23-20(26)13-21(28-22(23)12-18)16-5-3-2-4-6-16/h2-12,14,21,24-25H,13H2,1H3
InChIKey
YCOTUQMQORMKOG-UHFFFAOYSA-N
Compound name
5-hydroxy-7-[4-(1-hydroxyethyl)phenoxy]-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.13107 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13835 188.6
[M+Na]+ 399.12029 194.9
[M-H]- 375.12379 197.2
[M+NH4]+ 394.16489 198.2
[M+K]+ 415.09423 191.3
[M+H-H2O]+ 359.12833 179.0
[M+HCOO]- 421.12927 204.0
[M+CH3COO]- 435.14492 197.9
[M+Na-2H]- 397.10574 190.6
[M]+ 376.13052 188.6
[M]- 376.13162 188.6
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.