CID 493168

2-naphthalenecarboxaldehyde, 6-hydroxy-4-[4-hydroxy-3-(hydroxymethyl)phenyl]-3-(hydroxymethyl)-7-methoxy-

Structural Information

Molecular Formula
C20H18O6
SMILES
COC1=CC2=CC(=C(C(=C2C=C1O)C3=CC(=C(C=C3)O)CO)CO)C=O
InChI
InChI=1S/C20H18O6/c1-26-19-6-12-5-13(8-21)16(10-23)20(15(12)7-18(19)25)11-2-3-17(24)14(4-11)9-22/h2-8,22-25H,9-10H2,1H3
InChIKey
FZYCOAXQQXHULR-UHFFFAOYSA-N
Compound name
6-hydroxy-4-[4-hydroxy-3-(hydroxymethyl)phenyl]-3-(hydroxymethyl)-7-methoxynaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.11035 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 180.9
[M+Na]+ 377.09957 190.1
[M-H]- 353.10307 184.5
[M+NH4]+ 372.14417 192.7
[M+K]+ 393.07351 185.0
[M+H-H2O]+ 337.10761 173.3
[M+HCOO]- 399.10855 197.9
[M+CH3COO]- 413.12420 209.3
[M+Na-2H]- 375.08502 182.5
[M]+ 354.10980 184.2
[M]- 354.11090 184.2
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

No patent data available for this compound.