CID 3039268

Carbanilic acid, 1,1-bis(p-tolyl)-3-piperidinopropyl ester, hydrochloride

Structural Information

Molecular Formula
C29H34N2O2
SMILES
CC1=CC=C(C=C1)C(CCN2CCCCC2)(C3=CC=C(C=C3)C)OC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C29H34N2O2/c1-23-11-15-25(16-12-23)29(26-17-13-24(2)14-18-26,19-22-31-20-7-4-8-21-31)33-28(32)30-27-9-5-3-6-10-27/h3,5-6,9-18H,4,7-8,19-22H2,1-2H3,(H,30,32)
InChIKey
RWOOLGRRVVMRNV-UHFFFAOYSA-N
Compound name
[1,1-bis(4-methylphenyl)-3-piperidin-1-ylpropyl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.26202 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.26930 214.2
[M+Na]+ 465.25124 227.7
[M+NH4]+ 460.29584 221.3
[M+K]+ 481.22518 218.2
[M-H]- 441.25474 222.3
[M+Na-2H]- 463.23669 224.9
[M]+ 442.26147 218.6
[M]- 442.26257 218.6
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.