CID 3035735

2-pyridinepropanamine, gamma-(4-chlorophenyl)-n,n-dimethyl-, n-oxide, (r)-

Structural Information

Molecular Formula
C16H19ClN2O
SMILES
C[N+](C)(CC[C@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2)[O-]
InChI
InChI=1S/C16H19ClN2O/c1-19(2,20)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m1/s1
InChIKey
NMEICKDXQPVPKK-OAHLLOKOSA-N
Compound name
(3R)-3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1186 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.125876 166.3
[M+Na]+ 313.107818 172.0
[M-H]- 289.111324 170.7
[M+NH4]+ 308.152423 180.5
[M+K]+ 329.081758 162.4
[M+H-H2O]+ 273.115860 163.2
[M+HCOO]- 335.116801 182.9
[M+CH3COO]- 349.132451 196.5
[M+Na-2H]- 311.093266 173.8
[M]+ 290.11805142 166.3
[M]- 290.11914858 166.3
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.