CID 44257165

3,4,7-trihydroxy-5,4'-dimethoxy-6,8-dimethylflavan

Structural Information

Molecular Formula
C19H22O6
SMILES
CC1=C(C(=C(C2=C1O[C@@H]([C@H]([C@H]2O)O)C3=CC=C(C=C3)OC)OC)C)O
InChI
InChI=1S/C19H22O6/c1-9-14(20)10(2)18-13(17(9)24-4)15(21)16(22)19(25-18)11-5-7-12(23-3)8-6-11/h5-8,15-16,19-22H,1-4H3/t15-,16-,19+/m0/s1
InChIKey
JPKVJHFTLRHPOD-TXPKVOOTSA-N
Compound name
(2R,3S,4S)-5-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-3,4-dihydro-2H-chromene-3,4,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.14163 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14891 180.6
[M+Na]+ 369.13085 189.6
[M-H]- 345.13435 186.1
[M+NH4]+ 364.17545 192.6
[M+K]+ 385.10479 187.4
[M+H-H2O]+ 329.13889 173.2
[M+HCOO]- 391.13983 195.5
[M+CH3COO]- 405.15548 211.6
[M+Na-2H]- 367.11630 181.3
[M]+ 346.14108 184.5
[M]- 346.14218 184.5
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.