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]+ 387.122696 191.3
[M+Na]+ 409.104638 197.8
[M-H]- 385.108144 199.7
[M+NH4]+ 404.149243 200.3
[M+K]+ 425.078578 192.8
[M+H-H2O]+ 369.112680 181.6
[M+HCOO]- 431.113621 206.6
[M+CH3COO]- 445.129271 200.2
[M+Na-2H]- 407.090086 192.7
[M]+ 386.11487142 190.1
[M]- 386.11596858 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.