CID 39838

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

Structural Information

Molecular Formula
C17H21NO
SMILES
CN(C)CCC(C1=CC=C(C=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C17H21NO/c1-18(2)13-12-17(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17,19H,12-13H2,1-2H3
InChIKey
XJMDJHDITMUNOO-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(4-phenylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.169586 161.5
[M+Na]+ 278.151528 166.2
[M-H]- 254.155034 167.7
[M+NH4]+ 273.196133 177.7
[M+K]+ 294.125468 163.1
[M+H-H2O]+ 238.159570 153.5
[M+HCOO]- 300.160511 184.1
[M+CH3COO]- 314.176161 200.8
[M+Na-2H]- 276.136976 165.1
[M]+ 255.16176142 161.4
[M]- 255.16285858 161.4
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

patents stripe