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
4
Annotation Hits

4
References

94
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 166.7
[M+Na]+ 327.08392 174.9
[M-H]- 303.08742 170.6
[M+NH4]+ 322.12852 179.1
[M+K]+ 343.05786 172.2
[M+H-H2O]+ 287.09196 159.8
[M+HCOO]- 349.09290 181.3
[M+CH3COO]- 363.10855 197.8
[M+Na-2H]- 325.06937 170.0
[M]+ 304.09415 167.0
[M]- 304.09525 167.0
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