CID 17036

Dimenoxadol

Structural Information

Molecular Formula

C₂₀H₂₅NO₃

SMILES

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

InChI

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

InChIKey

RHUWRJWFHUKVED-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2-ethoxy-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 7707
Patents: 327.18344 Da
Monoisotopic Mass: 3.6
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]+	328.19072	179.9
[M+Na]+	350.17266	191.5
[M+NH4]+	345.21726	187.0
[M+K]+	366.14660	184.8
[M-H]-	326.17616	183.8
[M+Na-2H]-	348.15811	188.2
[M]+	327.18289	182.7
[M]-	327.18399	182.7

Literature stripe

literature stripe

Patent stripe

patents stripe