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
2
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

literature stripe

Patent stripe

patents stripe