CID 42607594

8-cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin

Structural Information

Molecular Formula
C24H18O5
SMILES
C1C(C2=C(C(=C(C=C2O)O)C(=O)/C=C/C3=CC=CC=C3)OC1=O)C4=CC=CC=C4
InChI
InChI=1S/C24H18O5/c25-18(12-11-15-7-3-1-4-8-15)23-20(27)14-19(26)22-17(13-21(28)29-24(22)23)16-9-5-2-6-10-16/h1-12,14,17,26-27H,13H2/b12-11+
InChIKey
XNMQCWKDPWDEMC-VAWYXSNFSA-N
Compound name
5,7-dihydroxy-4-phenyl-8-[(E)-3-phenylprop-2-enoyl]-3,4-dihydrochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.11542 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.12270 191.3
[M+Na]+ 409.10464 197.8
[M-H]- 385.10814 199.7
[M+NH4]+ 404.14924 200.3
[M+K]+ 425.07858 192.8
[M+H-H2O]+ 369.11268 181.6
[M+HCOO]- 431.11362 206.6
[M+CH3COO]- 445.12927 200.2
[M+Na-2H]- 407.09009 192.7
[M]+ 386.11487 190.1
[M]- 386.11597 190.1
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.