CID 44257310

Piscerythrinetin

Structural Information

Molecular Formula
C22H22O6
SMILES
CC(=CCC1=C(C(=CC(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)OC)OC)C
InChI
InChI=1S/C22H22O6/c1-12(2)5-6-13-7-14(8-19(26-3)22(13)27-4)16-11-28-18-10-15(23)9-17(24)20(18)21(16)25/h5,7-11,23-24H,6H2,1-4H3
InChIKey
RQIDYCZAYSCRKC-UHFFFAOYSA-N
Compound name
3-[3,4-dimethoxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.14163 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14891 190.0
[M+Na]+ 405.13085 199.4
[M-H]- 381.13435 196.8
[M+NH4]+ 400.17545 200.8
[M+K]+ 421.10479 196.5
[M+H-H2O]+ 365.13889 181.6
[M+HCOO]- 427.13983 207.6
[M+CH3COO]- 441.15548 219.5
[M+Na-2H]- 403.11630 190.8
[M]+ 382.14108 196.8
[M]- 382.14218 196.8
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

No patent data available for this compound.