CID 21721817

Lmpk12140146

Structural Information

Molecular Formula
C22H18O5
SMILES
C1C(OC2=C(C1=O)C(=C(C(=C2)O)CC3=CC=CC=C3O)O)C4=CC=CC=C4
InChI
InChI=1S/C22H18O5/c23-16-9-5-4-8-14(16)10-15-17(24)11-20-21(22(15)26)18(25)12-19(27-20)13-6-2-1-3-7-13/h1-9,11,19,23-24,26H,10,12H2
InChIKey
KSBALECVCJXYHU-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-6-[(2-hydroxyphenyl)methyl]-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

362.11542 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12270 184.8
[M+Na]+ 385.10464 192.4
[M-H]- 361.10814 192.6
[M+NH4]+ 380.14924 194.7
[M+K]+ 401.07858 187.7
[M+H-H2O]+ 345.11268 175.6
[M+HCOO]- 407.11362 200.0
[M+CH3COO]- 421.12927 194.3
[M+Na-2H]- 383.09009 187.3
[M]+ 362.11487 183.8
[M]- 362.11597 183.8
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

patents stripe