CID 367137

2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one

Structural Information

Molecular Formula
C21H25NO3
SMILES
CC1C(NC(C(C1=O)C)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H25NO3/c1-13-19(15-5-9-17(24-3)10-6-15)22-20(14(2)21(13)23)16-7-11-18(25-4)12-8-16/h5-14,19-20,22H,1-4H3
InChIKey
RVYZVGKIODSCSZ-UHFFFAOYSA-N
Compound name
2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

3
Patents

339.18344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.190716 183.0
[M+Na]+ 362.172658 189.8
[M-H]- 338.176164 190.0
[M+NH4]+ 357.217263 194.6
[M+K]+ 378.146598 184.7
[M+H-H2O]+ 322.180700 173.3
[M+HCOO]- 384.181641 199.8
[M+CH3COO]- 398.197291 212.7
[M+Na-2H]- 360.158106 182.0
[M]+ 339.18289142 182.1
[M]- 339.18398858 182.1
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

patents stripe