CID 13646738

Chembl3544789

Structural Information

Molecular Formula
C14H15ClN2
SMILES
C1=CC=NC(=C1)[C@@H](CCN)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H15ClN2/c15-12-6-4-11(5-7-12)13(8-9-16)14-3-1-2-10-17-14/h1-7,10,13H,8-9,16H2/t13-/m0/s1
InChIKey
FNBHBFPBGUXPRF-ZDUSSCGKSA-N
Compound name
(3S)-3-(4-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.09238 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09966 155.3
[M+Na]+ 269.08160 162.5
[M-H]- 245.08510 159.6
[M+NH4]+ 264.12620 171.3
[M+K]+ 285.05554 156.6
[M+H-H2O]+ 229.08964 147.6
[M+HCOO]- 291.09058 173.1
[M+CH3COO]- 305.10623 194.5
[M+Na-2H]- 267.06705 160.4
[M]+ 246.09183 155.1
[M]- 246.09293 155.1
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.