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
1
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]+ 256.16959 159.2
[M+Na]+ 278.15153 163.3
[M-H]- 254.15503 165.0
[M+NH4]+ 273.19613 175.2
[M+K]+ 294.12547 155.2
[M+H-H2O]+ 238.15957 156.4
[M+HCOO]- 300.16051 181.5
[M+CH3COO]- 314.17616 192.2
[M+Na-2H]- 276.13698 167.2
[M]+ 255.16176 156.7
[M]- 255.16286 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.