CID 39842

Alpha-(2-(methylphenethylamino)ethyl)-4-biphenylmethanol hydrochloride

Structural Information

Molecular Formula
C24H27NO
SMILES
CN(CCC1=CC=CC=C1)CCC(C2=CC=C(C=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C24H27NO/c1-25(18-16-20-8-4-2-5-9-20)19-17-24(26)23-14-12-22(13-15-23)21-10-6-3-7-11-21/h2-15,24,26H,16-19H2,1H3
InChIKey
GFNVCIYDLRHTLZ-UHFFFAOYSA-N
Compound name
3-[methyl(2-phenylethyl)amino]-1-(4-phenylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.20926 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.216536 186.9
[M+Na]+ 368.198478 189.6
[M-H]- 344.201984 195.1
[M+NH4]+ 363.243083 198.6
[M+K]+ 384.172418 184.3
[M+H-H2O]+ 328.206520 176.6
[M+HCOO]- 390.207461 208.2
[M+CH3COO]- 404.223111 217.4
[M+Na-2H]- 366.183926 189.2
[M]+ 345.20871142 186.4
[M]- 345.20980858 186.4
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.