CID 10108256

Schembl499766

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

494
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 173.0
[M-H]- 288.11607 173.7
[M+NH4]+ 307.15717 183.4
[M+K]+ 328.08651 168.5
[M+H-H2O]+ 272.12061 160.6
[M+HCOO]- 334.12155 184.8
[M+CH3COO]- 348.13720 205.3
[M+Na-2H]- 310.09802 169.6
[M]+ 289.12280 169.4
[M]- 289.12390 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.