CID 71985

R3tc4sew5a

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

334
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 173.0
[M-H]- 288.116074 173.7
[M+NH4]+ 307.157173 183.4
[M+K]+ 328.086508 168.5
[M+H-H2O]+ 272.120610 160.6
[M+HCOO]- 334.121551 184.8
[M+CH3COO]- 348.137201 205.3
[M+Na-2H]- 310.098016 169.6
[M]+ 289.12280142 169.4
[M]- 289.12389858 169.4
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.