CID 4484949

(r)-3',7-dihydroxy-2',4'-dimethoxyisoflavan

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=C(C(=C(C=C1)C2CC3=C(C=C(C=C3)O)OC2)OC)O
InChI
InChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3
InChIKey
NUNFZNIXYWTZMW-UHFFFAOYSA-N
Compound name
3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

24
Patents

302.11542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 167.6
[M+Na]+ 325.10464 175.6
[M-H]- 301.10814 173.7
[M+NH4]+ 320.14924 181.4
[M+K]+ 341.07858 173.4
[M+H-H2O]+ 285.11268 160.0
[M+HCOO]- 347.11362 184.8
[M+CH3COO]- 361.12927 201.3
[M+Na-2H]- 323.09009 171.8
[M]+ 302.11487 169.8
[M]- 302.11597 169.8
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