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 207.1
[M+Na]+ 444.23092 211.0
[M-H]- 420.23442 214.4
[M+NH4]+ 439.27552 216.3
[M+K]+ 460.20486 205.5
[M+H-H2O]+ 404.23896 195.6
[M+HCOO]- 466.23990 225.8
[M+CH3COO]- 480.25555 232.8
[M+Na-2H]- 442.21637 207.7
[M]+ 421.24115 208.9
[M]- 421.24225 208.9
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.