CID 442358

7,3'-dihydroxy-4'-methoxy-8-methylflavan

Structural Information

Molecular Formula
C17H18O4
SMILES
CC1=C(C=CC2=C1O[C@@H](CC2)C3=CC(=C(C=C3)OC)O)O
InChI
InChI=1S/C17H18O4/c1-10-13(18)6-3-11-4-7-15(21-17(10)11)12-5-8-16(20-2)14(19)9-12/h3,5-6,8-9,15,18-19H,4,7H2,1-2H3/t15-/m0/s1
InChIKey
XVHKLOFEZNFSRF-HNNXBMFYSA-N
Compound name
(2S)-2-(3-hydroxy-4-methoxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

286.1205 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 164.8
[M+Na]+ 309.10972 179.6
[M+NH4]+ 304.15432 173.1
[M+K]+ 325.08366 172.9
[M-H]- 285.11322 170.3
[M+Na-2H]- 307.09517 170.8
[M]+ 286.11995 168.6
[M]- 286.12105 168.6
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

patents stripe