CID 14237674

4-[(3r)-7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2h-chromen-3-yl]benzene-1,3-diol

Structural Information

Molecular Formula
C20H22O4
SMILES
CC(C)(C=C)C1=C(C=C2C(=C1)C[C@@H](CO2)C3=C(C=C(C=C3)O)O)O
InChI
InChI=1S/C20H22O4/c1-4-20(2,3)16-8-12-7-13(11-24-19(12)10-18(16)23)15-6-5-14(21)9-17(15)22/h4-6,8-10,13,21-23H,1,7,11H2,2-3H3/t13-/m0/s1
InChIKey
WZKRLNSIPVUZHV-ZDUSSCGKSA-N
Compound name
4-[(3R)-7-hydroxy-6-(2-methylbut-3-en-2-yl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1518 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15908 177.7
[M+Na]+ 349.14102 184.7
[M-H]- 325.14452 182.1
[M+NH4]+ 344.18562 189.8
[M+K]+ 365.11496 180.4
[M+H-H2O]+ 309.14906 170.8
[M+HCOO]- 371.15000 190.7
[M+CH3COO]- 385.16565 205.6
[M+Na-2H]- 347.12647 180.7
[M]+ 326.15125 176.5
[M]- 326.15235 176.5
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

No patent data available for this compound.