CID 3064322

Brn 0289600

Structural Information

Molecular Formula
C22H29NO
SMILES
CC1CCN(CC1)CCCC2=CC=C(C=C2)COC3=CC=CC=C3
InChI
InChI=1S/C22H29NO/c1-19-13-16-23(17-14-19)15-5-6-20-9-11-21(12-10-20)18-24-22-7-3-2-4-8-22/h2-4,7-12,19H,5-6,13-18H2,1H3
InChIKey
NAGRSMQUPRNEHT-UHFFFAOYSA-N
Compound name
4-methyl-1-[3-[4-(phenoxymethyl)phenyl]propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 183.4
[M+Na]+ 346.21412 198.0
[M+NH4]+ 341.25872 192.4
[M+K]+ 362.18806 187.5
[M-H]- 322.21762 190.3
[M+Na-2H]- 344.19957 193.1
[M]+ 323.22435 187.6
[M]- 323.22545 187.6
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.