CID 235241

4987-89-7

Structural Information

Molecular Formula
C20H24O7
SMILES
COC1=C(C=C2C(C(C(CC2=C1)(CO)O)CO)C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C20H24O7/c1-26-17-5-11(3-4-15(17)23)19-13-7-16(24)18(27-2)6-12(13)8-20(25,10-22)14(19)9-21/h3-7,14,19,21-25H,8-10H2,1-2H3
InChIKey
KCIQZCNOUZCRGH-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3-methoxyphenyl)-2,3-bis(hydroxymethyl)-7-methoxy-3,4-dihydro-1H-naphthalene-2,6-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

34
Patents

376.1522 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15948 186.9
[M+Na]+ 399.14142 194.1
[M-H]- 375.14492 188.4
[M+NH4]+ 394.18602 199.0
[M+K]+ 415.11536 190.4
[M+H-H2O]+ 359.14946 180.1
[M+HCOO]- 421.15040 199.3
[M+CH3COO]- 435.16605 210.7
[M+Na-2H]- 397.12687 187.8
[M]+ 376.15165 188.4
[M]- 376.15275 188.4
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