CID 42607875

6-c-prenyl-8-c-methylpinocembrin

Structural Information

Molecular Formula
C21H22O4
SMILES
CC1=C(C(=C(C2=C1OC(CC2=O)C3=CC=CC=C3)O)CC=C(C)C)O
InChI
InChI=1S/C21H22O4/c1-12(2)9-10-15-19(23)13(3)21-18(20(15)24)16(22)11-17(25-21)14-7-5-4-6-8-14/h4-9,17,23-24H,10-11H2,1-3H3
InChIKey
BMEJCGKQLXCIJC-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-8-methyl-6-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.1518 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15908 180.9
[M+Na]+ 361.14102 188.5
[M-H]- 337.14452 186.7
[M+NH4]+ 356.18562 193.3
[M+K]+ 377.11496 184.2
[M+H-H2O]+ 321.14906 173.3
[M+HCOO]- 383.15000 195.8
[M+CH3COO]- 397.16565 211.2
[M+Na-2H]- 359.12647 180.9
[M]+ 338.15125 181.3
[M]- 338.15235 181.3
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.