CID 442805

Lotisoflavan

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=CC2=C(CC(CO2)C3=C(C=C(C=C3)O)O)C(=C1)OC
InChI
InChI=1S/C17H18O5/c1-20-12-7-16(21-2)14-5-10(9-22-17(14)8-12)13-4-3-11(18)6-15(13)19/h3-4,6-8,10,18-19H,5,9H2,1-2H3
InChIKey
ITRZCICEVGLQFO-UHFFFAOYSA-N
Compound name
4-(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

302.11542 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

patents stripe