CID 39844

4'-chloro-alpha-(2-(dimethylamino)ethyl)-4-biphenylmethanol hydrochloride

Structural Information

Molecular Formula
C17H20ClNO
SMILES
CN(C)CCC(C1=CC=C(C=C1)C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C17H20ClNO/c1-19(2)12-11-17(20)15-5-3-13(4-6-15)14-7-9-16(18)10-8-14/h3-10,17,20H,11-12H2,1-2H3
InChIKey
ANSGWMFERFVEAF-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenyl)phenyl]-3-(dimethylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12335 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.130626 167.7
[M+Na]+ 312.112568 174.2
[M-H]- 288.116074 174.0
[M+NH4]+ 307.157173 183.8
[M+K]+ 328.086508 169.2
[M+H-H2O]+ 272.120610 160.6
[M+HCOO]- 334.121551 185.7
[M+CH3COO]- 348.137201 205.6
[M+Na-2H]- 310.098016 170.1
[M]+ 289.12280142 170.4
[M]- 289.12389858 170.4
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.