CID 44257202

3',4'-dihydroxy-5,7-dimethoxyflavan

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=CC2=C(CCC(O2)C3=CC(=C(C=C3)O)O)C(=C1)OC
InChI
InChI=1S/C17H18O5/c1-20-11-8-16(21-2)12-4-6-15(22-17(12)9-11)10-3-5-13(18)14(19)7-10/h3,5,7-9,15,18-19H,4,6H2,1-2H3
InChIKey
OQHDHVCMAOKOKY-UHFFFAOYSA-N
Compound name
4-(5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

302.11542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.122696 167.6
[M+Na]+ 325.104638 175.6
[M-H]- 301.108144 173.7
[M+NH4]+ 320.149243 181.4
[M+K]+ 341.078578 173.4
[M+H-H2O]+ 285.112680 160.0
[M+HCOO]- 347.113621 184.8
[M+CH3COO]- 361.129271 201.3
[M+Na-2H]- 323.090086 171.8
[M]+ 302.11487142 169.8
[M]- 302.11596858 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