CID 71300421

Pinolcaine

Structural Information

Molecular Formula

C₂₃H₂₉NO₂

SMILES

CC(C)([C@H]1CCCCN1C)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO2/c1-23(2,20-16-10-11-17-24(20)3)26-22(25)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15,20-21H,10-11,16-17H2,1-3H3/t20-/m1/s1

InChIKey

FKFABDZLGKRECY-HXUWFJFHSA-N

Compound name

2-[(2R)-1-methylpiperidin-2-yl]propan-2-yl 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 51
Patents: 351.21982 Da
Monoisotopic Mass: 5.0
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]+	352.227096	187.4
[M+Na]+	374.209038	189.1
[M-H]-	350.212544	193.8
[M+NH4]+	369.253643	197.8
[M+K]+	390.182978	185.1
[M+H-H2O]+	334.217080	177.2
[M+HCOO]-	396.218021	201.3
[M+CH3COO]-	410.233671	214.3
[M+Na-2H]-	372.194486	188.0
[M]+	351.21927142	183.7
[M]-	351.22036858	183.7

Literature stripe

literature stripe

Patent stripe

patents stripe