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
4
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 158.5
[M+Na]+ 279.14678 162.9
[M-H]- 255.15028 163.1
[M+NH4]+ 274.19138 173.1
[M+K]+ 295.12072 154.9
[M+H-H2O]+ 239.15482 154.8
[M+HCOO]- 301.15576 179.9
[M+CH3COO]- 315.17141 191.7
[M+Na-2H]- 277.13223 167.5
[M]+ 256.15701 156.0
[M]- 256.15811 156.0
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.