CID 40508076

Schembl8583008

Structural Information

Molecular Formula
C15H17ClN2
SMILES
CNCC[C@@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2
InChI
InChI=1S/C15H17ClN2/c1-17-11-9-14(15-4-2-3-10-18-15)12-5-7-13(16)8-6-12/h2-8,10,14,17H,9,11H2,1H3/t14-/m0/s1
InChIKey
UICFCNIVUDNZSW-AWEZNQCLSA-N
Compound name
(3S)-3-(4-chlorophenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.10803 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11531 159.4
[M+Na]+ 283.09725 166.1
[M-H]- 259.10075 164.0
[M+NH4]+ 278.14185 175.1
[M+K]+ 299.07119 160.3
[M+H-H2O]+ 243.10529 151.3
[M+HCOO]- 305.10623 177.5
[M+CH3COO]- 319.12188 198.2
[M+Na-2H]- 281.08270 164.9
[M]+ 260.10748 160.5
[M]- 260.10858 160.5
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