CID 222605

12656-98-3

Structural Information

Molecular Formula
C16H20N2O
SMILES
C[N+](C)(CCC(C1=CC=CC=C1)C2=CC=CC=N2)[O-]
InChI
InChI=1S/C16H20N2O/c1-18(2,19)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3
InChIKey
OBBDJQMNZLQVAZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 159.2
[M+Na]+ 279.14678 174.4
[M+NH4]+ 274.19138 168.4
[M+K]+ 295.12072 168.4
[M-H]- 255.15028 165.2
[M+Na-2H]- 277.13223 169.5
[M]+ 256.15701 163.3
[M]- 256.15811 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.