CID 3057512

74050-96-7

Structural Information

Molecular Formula
C16H19ClN2O
SMILES
CN(C)CCC(C1=CC=C(C=C1)Cl)(C2=CC=CC=N2)O
InChI
InChI=1S/C16H19ClN2O/c1-19(2)12-10-16(20,15-5-3-4-11-18-15)13-6-8-14(17)9-7-13/h3-9,11,20H,10,12H2,1-2H3
InChIKey
KMXNKRXQXACHDF-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.1186 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12588 167.4
[M+Na]+ 313.10782 174.1
[M-H]- 289.11132 172.3
[M+NH4]+ 308.15242 182.0
[M+K]+ 329.08176 169.1
[M+H-H2O]+ 273.11586 159.5
[M+HCOO]- 335.11680 183.8
[M+CH3COO]- 349.13245 203.6
[M+Na-2H]- 311.09327 173.2
[M]+ 290.11805 169.9
[M]- 290.11915 169.9
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

patents stripe