CID 44257186

5,7-dimethoxy-8-prenylflavan

Structural Information

Molecular Formula
C22H26O3
SMILES
CC(=CCC1=C(C=C(C2=C1O[C@@H](CC2)C3=CC=CC=C3)OC)OC)C
InChI
InChI=1S/C22H26O3/c1-15(2)10-11-17-20(23-3)14-21(24-4)18-12-13-19(25-22(17)18)16-8-6-5-7-9-16/h5-10,14,19H,11-13H2,1-4H3/t19-/m0/s1
InChIKey
RPTCPOYESVSHEY-IBGZPJMESA-N
Compound name
(2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1882 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19548 183.5
[M+Na]+ 361.17742 189.6
[M-H]- 337.18092 191.1
[M+NH4]+ 356.22202 196.9
[M+K]+ 377.15136 186.4
[M+H-H2O]+ 321.18546 174.8
[M+HCOO]- 383.18640 200.8
[M+CH3COO]- 397.20205 214.6
[M+Na-2H]- 359.16287 185.0
[M]+ 338.18765 186.1
[M]- 338.18875 186.1
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.