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
2
Annotation Hits

3
References

67
Patents

260.10803 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.115306 159.4
[M+Na]+ 283.097248 166.1
[M-H]- 259.100754 164.0
[M+NH4]+ 278.141853 175.1
[M+K]+ 299.071188 160.3
[M+H-H2O]+ 243.105290 151.3
[M+HCOO]- 305.106231 177.5
[M+CH3COO]- 319.121881 198.2
[M+Na-2H]- 281.082696 164.9
[M]+ 260.10748142 160.5
[M]- 260.10857858 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