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 211.5
[M+Na]+ 465.25124 211.9
[M-H]- 441.25474 220.3
[M+NH4]+ 460.29584 217.2
[M+K]+ 481.22518 205.7
[M+H-H2O]+ 425.25928 198.8
[M+HCOO]- 487.26022 226.3
[M+CH3COO]- 501.27587 232.6
[M+Na-2H]- 463.23669 212.3
[M]+ 442.26147 207.0
[M]- 442.26257 207.0
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.