CID 42607609

8-p-coumaroyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin

Structural Information

Molecular Formula
C24H18O6
SMILES
C1C(C2=C(C(=C(C=C2O)O)C(=O)/C=C/C3=CC=C(C=C3)O)OC1=O)C4=CC=CC=C4
InChI
InChI=1S/C24H18O6/c25-16-9-6-14(7-10-16)8-11-18(26)23-20(28)13-19(27)22-17(12-21(29)30-24(22)23)15-4-2-1-3-5-15/h1-11,13,17,25,27-28H,12H2/b11-8+
InChIKey
FWYBHSPKZODKKZ-DHZHZOJOSA-N
Compound name
5,7-dihydroxy-8-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-phenyl-3,4-dihydrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.11035 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.11763 194.3
[M+Na]+ 425.09957 201.0
[M-H]- 401.10307 201.8
[M+NH4]+ 420.14417 202.2
[M+K]+ 441.07351 196.3
[M+H-H2O]+ 385.10761 184.9
[M+HCOO]- 447.10855 208.3
[M+CH3COO]- 461.12420 218.6
[M+Na-2H]- 423.08502 194.9
[M]+ 402.10980 193.4
[M]- 402.11090 193.4
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

No patent data available for this compound.