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]+ 290.13063 167.7
[M+Na]+ 312.11257 174.2
[M-H]- 288.11607 174.0
[M+NH4]+ 307.15717 183.8
[M+K]+ 328.08651 169.2
[M+H-H2O]+ 272.12061 160.6
[M+HCOO]- 334.12155 185.7
[M+CH3COO]- 348.13720 205.6
[M+Na-2H]- 310.09802 170.1
[M]+ 289.12280 170.4
[M]- 289.12390 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.