CID 176171

Oxifentorex

Structural Information

Molecular Formula
C17H21NO
SMILES
CC(CC1=CC=CC=C1)[N+](C)(CC2=CC=CC=C2)[O-]
InChI
InChI=1S/C17H21NO/c1-15(13-16-9-5-3-6-10-16)18(2,19)14-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3
InChIKey
LXPCOISGJFXEJE-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-1-phenylpropan-2-amine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3300
Patents

255.16231 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.169586 159.2
[M+Na]+ 278.151528 163.3
[M-H]- 254.155034 165.0
[M+NH4]+ 273.196133 175.2
[M+K]+ 294.125468 155.2
[M+H-H2O]+ 238.159570 156.4
[M+HCOO]- 300.160511 181.5
[M+CH3COO]- 314.176161 192.2
[M+Na-2H]- 276.136976 167.2
[M]+ 255.16176142 156.7
[M]- 255.16285858 156.7
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

patents stripe