CID 6222

Ethamoxytriphetol

Structural Information

Molecular Formula
C27H33NO3
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)(C3=CC=CC=C3)O
InChI
InChI=1S/C27H33NO3/c1-4-28(5-2)19-20-31-26-17-13-24(14-18-26)27(29,23-9-7-6-8-10-23)21-22-11-15-25(30-3)16-12-22/h6-18,29H,4-5,19-21H2,1-3H3
InChIKey
KDYQVUUCWUPJGE-UHFFFAOYSA-N
Compound name
1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

74
References

712
Patents

419.24603 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.25331 208.1
[M+Na]+ 442.23525 221.6
[M+NH4]+ 437.27985 215.1
[M+K]+ 458.20919 212.6
[M-H]- 418.23875 214.6
[M+Na-2H]- 440.22070 217.9
[M]+ 419.24548 212.1
[M]- 419.24658 212.1
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