CID 14332897

2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol

Structural Information

Molecular Formula
C16H16O6
SMILES
COC1=C(C=C(C=C1)C2C(CC3=C(C=C(C=C3O2)O)O)O)O
InChI
InChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3
InChIKey
ZHDMPVIDHWJGTN-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

92
Patents

304.0947 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10198 167.4
[M+Na]+ 327.08392 180.6
[M+NH4]+ 322.12852 173.9
[M+K]+ 343.05786 176.1
[M-H]- 303.08742 170.9
[M+Na-2H]- 325.06937 171.3
[M]+ 304.09415 170.1
[M]- 304.09525 170.1
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