CID 90412

24210-97-7

Structural Information

Molecular Formula
C21H25NO2
SMILES
COC1=CC=C(C=C1)C(=O)CCN2CCC(CC2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO2/c1-24-20-9-7-19(8-10-20)21(23)13-16-22-14-11-18(12-15-22)17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3
InChIKey
MKRHBDKSQLRYER-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 179.5
[M+Na]+ 346.17776 182.8
[M-H]- 322.18126 186.2
[M+NH4]+ 341.22236 191.2
[M+K]+ 362.15170 178.1
[M+H-H2O]+ 306.18580 168.9
[M+HCOO]- 368.18674 196.6
[M+CH3COO]- 382.20239 208.9
[M+Na-2H]- 344.16321 180.5
[M]+ 323.18799 176.6
[M]- 323.18909 176.6
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.