CID 18551

Benapryzine

Structural Information

Molecular Formula

C₂₁H₂₇NO₃

SMILES

CCCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O

InChI

InChI=1S/C21H27NO3/c1-3-15-22(4-2)16-17-25-20(23)21(24,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,24H,3-4,15-17H2,1-2H3

InChIKey

PYPJRLVCFAVWFR-UHFFFAOYSA-N

Compound name

2-[ethyl(propyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 437
Patents: 341.1991 Da
Monoisotopic Mass: 3.2
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]+	342.206376	185.0
[M+Na]+	364.188318	187.5
[M-H]-	340.191824	190.3
[M+NH4]+	359.232923	197.3
[M+K]+	380.162258	184.7
[M+H-H2O]+	324.196360	176.1
[M+HCOO]-	386.197301	205.2
[M+CH3COO]-	400.212951	214.5
[M+Na-2H]-	362.173766	188.0
[M]+	341.19855142	187.4
[M]-	341.19964858	187.4

Literature stripe

literature stripe

Patent stripe

patents stripe