CID 4942

Propiverine

Structural Information

Molecular Formula

C₂₃H₂₉NO₃

SMILES

CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CCN(CC3)C

InChI

InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3

InChIKey

QPCVHQBVMYCJOM-UHFFFAOYSA-N

Compound name

(1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 244
References: 7621
Patents: 367.21475 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	368.222026	191.4
[M+Na]+	390.203968	193.1
[M-H]-	366.207474	197.6
[M+NH4]+	385.248573	201.0
[M+K]+	406.177908	189.2
[M+H-H2O]+	350.212010	180.7
[M+HCOO]-	412.212951	206.4
[M+CH3COO]-	426.228601	215.4
[M+Na-2H]-	388.189416	193.0
[M]+	367.21420142	189.6
[M]-	367.21529858	189.6

Literature stripe

literature stripe

Patent stripe

patents stripe