CID 155587

71013-36-0

Structural Information

Molecular Formula
C23H20O5
SMILES
COC1=C2C(=O)CC(OC2=C(C(=C1)O)CC3=CC=CC=C3O)C4=CC=CC=C4
InChI
InChI=1S/C23H20O5/c1-27-21-12-18(25)16(11-15-9-5-6-10-17(15)24)23-22(21)19(26)13-20(28-23)14-7-3-2-4-8-14/h2-10,12,20,24-25H,11,13H2,1H3
InChIKey
KKEXONXLVLHEJJ-UHFFFAOYSA-N
Compound name
7-hydroxy-8-[(2-hydroxyphenyl)methyl]-5-methoxy-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 189.3
[M+Na]+ 399.12029 196.8
[M-H]- 375.12379 198.3
[M+NH4]+ 394.16489 199.3
[M+K]+ 415.09423 192.8
[M+H-H2O]+ 359.12833 179.6
[M+HCOO]- 421.12927 205.6
[M+CH3COO]- 435.14492 199.0
[M+Na-2H]- 397.10574 191.6
[M]+ 376.13052 190.3
[M]- 376.13162 190.3
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.