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 181.8
[M+Na]+ 346.21412 184.8
[M-H]- 322.21762 188.1
[M+NH4]+ 341.25872 193.7
[M+K]+ 362.18806 179.2
[M+H-H2O]+ 306.22216 170.9
[M+HCOO]- 368.22310 199.2
[M+CH3COO]- 382.23875 209.7
[M+Na-2H]- 344.19957 183.3
[M]+ 323.22435 179.0
[M]- 323.22545 179.0
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.