CID 6483315

Chembl363624

Structural Information

Molecular Formula
C20H18O4
SMILES
CC(=CCC1=C2C(=C(C=C1O)O)C(=CC(=O)O2)C3=CC=CC=C3)C
InChI
InChI=1S/C20H18O4/c1-12(2)8-9-14-16(21)11-17(22)19-15(10-18(23)24-20(14)19)13-6-4-3-5-7-13/h3-8,10-11,21-22H,9H2,1-2H3
InChIKey
SRGRDIADLLPPQM-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-8-(3-methylbut-2-enyl)-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.1205 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12778 175.0
[M+Na]+ 345.10972 184.1
[M-H]- 321.11322 181.5
[M+NH4]+ 340.15432 188.0
[M+K]+ 361.08366 179.7
[M+H-H2O]+ 305.11776 167.2
[M+HCOO]- 367.11870 193.2
[M+CH3COO]- 381.13435 206.2
[M+Na-2H]- 343.09517 178.1
[M]+ 322.11995 177.4
[M]- 322.12105 177.4
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.