CID 44257197

5,4'-dihydroxy-7'-methoxy-8-methylflavan

Structural Information

Molecular Formula
C17H18O4
SMILES
CC1=C(C=C(C2=C1O[C@@H](CC2)C3=CC=C(C=C3)O)O)OC
InChI
InChI=1S/C17H18O4/c1-10-16(20-2)9-14(19)13-7-8-15(21-17(10)13)11-3-5-12(18)6-4-11/h3-6,9,15,18-19H,7-8H2,1-2H3/t15-/m0/s1
InChIKey
FAZHAXUNXPANOK-HNNXBMFYSA-N
Compound name
(2S)-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
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 173.0
[M-H]- 285.11322 171.0
[M+NH4]+ 304.15432 179.4
[M+K]+ 325.08366 170.1
[M+H-H2O]+ 269.11776 157.5
[M+HCOO]- 331.11870 181.9
[M+CH3COO]- 345.13435 199.0
[M+Na-2H]- 307.09517 168.9
[M]+ 286.11995 165.6
[M]- 286.12105 165.6
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