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

14
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

literature stripe

Patent stripe

patents stripe