CID 5315396

Yinyanghuo d

Structural Information

Molecular Formula
C20H18O5
SMILES
CC(=CCC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)C
InChI
InChI=1S/C20H18O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-10,21-23H,4H2,1-2H3
InChIKey
PFQMUQWFRINBBG-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

15
Patents

338.11542 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 178.4
[M+Na]+ 361.10464 187.7
[M-H]- 337.10814 183.9
[M+NH4]+ 356.14924 190.2
[M+K]+ 377.07858 183.4
[M+H-H2O]+ 321.11268 170.8
[M+HCOO]- 383.11362 195.1
[M+CH3COO]- 397.12927 207.7
[M+Na-2H]- 359.09009 180.4
[M]+ 338.11487 181.0
[M]- 338.11597 181.0
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.