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]+ 339.159076 180.9
[M+Na]+ 361.141018 188.5
[M-H]- 337.144524 186.7
[M+NH4]+ 356.185623 193.3
[M+K]+ 377.114958 184.2
[M+H-H2O]+ 321.149060 173.3
[M+HCOO]- 383.150001 195.8
[M+CH3COO]- 397.165651 211.2
[M+Na-2H]- 359.126466 180.9
[M]+ 338.15125142 181.3
[M]- 338.15234858 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.