CID 41287

Dtxsid00970375

Structural Information

Molecular Formula

C₁₉H₂₄NO₃

SMILES

C[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O

InChI

InChI=1S/C19H24NO3/c1-20(2,3)14-15-23-18(21)19(22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,22H,14-15H2,1-3H3/q+1

InChIKey

IHRPDXFOMLCPIK-UHFFFAOYSA-N

Compound name

2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 27
References: 346
Patents: 314.17563 Da
Monoisotopic Mass: 2.7
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]+	315.182906	174.9
[M+Na]+	337.164848	178.9
[M-H]-	313.168354	181.2
[M+NH4]+	332.209453	188.5
[M+K]+	353.138788	170.6
[M+H-H2O]+	297.172890	170.0
[M+HCOO]-	359.173831	194.7
[M+CH3COO]-	373.189481	201.1
[M+Na-2H]-	335.150296	183.8
[M]+	314.17508142	175.1
[M]-	314.17617858	175.1

Literature stripe

literature stripe

Patent stripe

patents stripe