CID 76559643

Venlafaxine n-oxide

Structural Information

Molecular Formula
C17H27NO3
SMILES
C[N+](C)(CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O)[O-]
InChI
InChI=1S/C17H27NO3/c1-18(2,20)13-16(17(19)11-5-4-6-12-17)14-7-9-15(21-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKey
LASJEFFANGIOGZ-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

31
Patents

293.1991 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 169.4
[M+Na]+ 316.18832 180.8
[M+NH4]+ 311.23292 179.0
[M+K]+ 332.16226 174.9
[M-H]- 292.19182 174.1
[M+Na-2H]- 314.17377 177.1
[M]+ 293.19855 172.5
[M]- 293.19965 172.5
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

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