CID 9330

Benactyzine

Structural Information

Molecular Formula

C₂₀H₂₅NO₃

SMILES

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

InChI

InChI=1S/C20H25NO3/c1-3-21(4-2)15-16-24-19(22)20(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3

InChIKey

IVQOFBKHQCTVQV-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 694
References: 4508
Patents: 327.18344 Da
Monoisotopic Mass: 2.6
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]+	328.190716	180.4
[M+Na]+	350.172658	183.4
[M-H]-	326.176164	185.9
[M+NH4]+	345.217263	193.3
[M+K]+	366.146598	180.7
[M+H-H2O]+	310.180700	171.7
[M+HCOO]-	372.181641	200.9
[M+CH3COO]-	386.197291	211.5
[M+Na-2H]-	348.158106	184.0
[M]+	327.18289142	182.5
[M]-	327.18398858	182.5

Literature stripe

literature stripe

Patent stripe

patents stripe