CID 199475

4-fluoro-alpha-(3-(methylphenethylamino)propyl)benzhydrol oxalate

Structural Information

Molecular Formula
C25H28FNO
SMILES
CN(CCCC(C1=CC=CC=C1)(C2=CC=C(C=C2)F)O)CCC3=CC=CC=C3
InChI
InChI=1S/C25H28FNO/c1-27(20-17-21-9-4-2-5-10-21)19-8-18-25(28,22-11-6-3-7-12-22)23-13-15-24(26)16-14-23/h2-7,9-16,28H,8,17-20H2,1H3
InChIKey
HMALWNGSGXQREU-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]-1-phenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.21548 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.22276 194.2
[M+Na]+ 400.20470 197.4
[M-H]- 376.20820 201.1
[M+NH4]+ 395.24930 204.8
[M+K]+ 416.17864 191.3
[M+H-H2O]+ 360.21274 183.1
[M+HCOO]- 422.21368 213.5
[M+CH3COO]- 436.22933 222.6
[M+Na-2H]- 398.19015 197.3
[M]+ 377.21493 193.1
[M]- 377.21603 193.1
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.