CID 3705191

37743-41-2

Structural Information

Molecular Formula
C29H34N2O2
SMILES
CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=CC=C2)O)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H34N2O2/c1-30(2)27(32)29(25-14-8-4-9-15-25,26-16-10-5-11-17-26)20-23-31-21-18-28(33,19-22-31)24-12-6-3-7-13-24/h3-17,33H,18-23H2,1-2H3
InChIKey
YNPNRXMADRSSLH-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

442.26202 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.26930 212.2
[M+Na]+ 465.25124 225.1
[M+NH4]+ 460.29584 220.6
[M+K]+ 481.22518 214.7
[M-H]- 441.25474 220.0
[M+Na-2H]- 463.23669 224.3
[M]+ 442.26147 216.5
[M]- 442.26257 216.5
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