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

841
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 206.7
[M+Na]+ 442.23525 209.3
[M-H]- 418.23875 215.0
[M+NH4]+ 437.27985 215.6
[M+K]+ 458.20919 205.0
[M+H-H2O]+ 402.24329 195.8
[M+HCOO]- 464.24423 226.6
[M+CH3COO]- 478.25988 231.1
[M+Na-2H]- 440.22070 208.8
[M]+ 419.24548 210.4
[M]- 419.24658 210.4
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.