CID 72551124

4-allyl-2-[5-(1-ethoxy-2-hydroxy-propyl)-2-hydroxy-phenyl]phenol

Structural Information

Molecular Formula
C20H24O4
SMILES
CCOC(C1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CC=C)O)C(C)O
InChI
InChI=1S/C20H24O4/c1-4-6-14-7-9-18(22)16(11-14)17-12-15(8-10-19(17)23)20(13(3)21)24-5-2/h4,7-13,20-23H,1,5-6H2,2-3H3
InChIKey
FFNUKIGNRMIGPV-UHFFFAOYSA-N
Compound name
2-[5-(1-ethoxy-2-hydroxypropyl)-2-hydroxyphenyl]-4-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

328.16745 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17473 179.0
[M+Na]+ 351.15667 184.7
[M-H]- 327.16017 181.7
[M+NH4]+ 346.20127 191.1
[M+K]+ 367.13061 180.0
[M+H-H2O]+ 311.16471 171.7
[M+HCOO]- 373.16565 195.8
[M+CH3COO]- 387.18130 206.7
[M+Na-2H]- 349.14212 177.3
[M]+ 328.16690 180.0
[M]- 328.16800 180.0
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

patents stripe