CID 3023692

4-(diphenoxymethyl)-2-methoxyphenol

Structural Information

Molecular Formula
C20H18O4
SMILES
COC1=C(C=CC(=C1)C(OC2=CC=CC=C2)OC3=CC=CC=C3)O
InChI
InChI=1S/C20H18O4/c1-22-19-14-15(12-13-18(19)21)20(23-16-8-4-2-5-9-16)24-17-10-6-3-7-11-17/h2-14,20-21H,1H3
InChIKey
FKHMCEUDQOCNQU-UHFFFAOYSA-N
Compound name
4-(diphenoxymethyl)-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1205 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.127776 174.9
[M+Na]+ 345.109718 180.7
[M-H]- 321.113224 183.1
[M+NH4]+ 340.154323 187.4
[M+K]+ 361.083658 177.1
[M+H-H2O]+ 305.117760 165.3
[M+HCOO]- 367.118701 196.6
[M+CH3COO]- 381.134351 204.8
[M+Na-2H]- 343.095166 179.0
[M]+ 322.11995142 177.1
[M]- 322.12104858 177.1
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.