CID 182210

3,4-divanillyltetrahydrofuran

Structural Information

Molecular Formula
C20H24O5
SMILES
COC1=C(C=CC(=C1)CC2COCC2CC3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C20H24O5/c1-23-19-9-13(3-5-17(19)21)7-15-11-25-12-16(15)8-14-4-6-18(22)20(10-14)24-2/h3-6,9-10,15-16,21-22H,7-8,11-12H2,1-2H3
InChIKey
ROGUIJKVZZROIQ-UHFFFAOYSA-N
Compound name
4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

126
Patents

344.16238 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.16966 180.8
[M+Na]+ 367.15160 187.2
[M-H]- 343.15510 189.0
[M+NH4]+ 362.19620 193.4
[M+K]+ 383.12554 184.4
[M+H-H2O]+ 327.15964 173.3
[M+HCOO]- 389.16058 199.5
[M+CH3COO]- 403.17623 208.0
[M+Na-2H]- 365.13705 180.2
[M]+ 344.16183 183.5
[M]- 344.16293 183.5
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