CID 199198

Brn 2631266

Structural Information

Molecular Formula
C27H32FNO2
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)F)(C3=CC=C(C=C3)C)O
InChI
InChI=1S/C27H32FNO2/c1-4-29(5-2)18-19-31-26-16-12-24(13-17-26)27(30,23-10-6-21(3)7-11-23)20-22-8-14-25(28)15-9-22/h6-17,30H,4-5,18-20H2,1-3H3
InChIKey
JLKUTPTYHNEUSP-UHFFFAOYSA-N
Compound name
1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-fluorophenyl)-1-(4-methylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.2417 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.24898 209.6
[M+Na]+ 444.23092 222.8
[M+NH4]+ 439.27552 216.3
[M+K]+ 460.20486 213.5
[M-H]- 420.23442 215.0
[M+Na-2H]- 442.21637 218.6
[M]+ 421.24115 213.2
[M]- 421.24225 213.2
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.