CID 15345869

Deoxy venlafaxine

Structural Information

Molecular Formula
C17H27NO
SMILES
CN(C)CC(C1CCCCC1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H27NO/c1-18(2)13-17(14-7-5-4-6-8-14)15-9-11-16(19-3)12-10-15/h9-12,14,17H,4-8,13H2,1-3H3
InChIKey
RELISZWQPGCXDE-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-(4-methoxyphenyl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

261.20926 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.21654 165.3
[M+Na]+ 284.19848 167.3
[M-H]- 260.20198 171.7
[M+NH4]+ 279.24308 181.8
[M+K]+ 300.17242 165.7
[M+H-H2O]+ 244.20652 157.0
[M+HCOO]- 306.20746 185.0
[M+CH3COO]- 320.22311 204.4
[M+Na-2H]- 282.18393 166.3
[M]+ 261.20871 162.8
[M]- 261.20981 162.8
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

patents stripe