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]+ 346.21654 186.9
[M+Na]+ 368.19848 189.6
[M-H]- 344.20198 195.1
[M+NH4]+ 363.24308 198.6
[M+K]+ 384.17242 184.3
[M+H-H2O]+ 328.20652 176.6
[M+HCOO]- 390.20746 208.2
[M+CH3COO]- 404.22311 217.4
[M+Na-2H]- 366.18393 189.2
[M]+ 345.20871 186.4
[M]- 345.20981 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.