CID 9571060

Cloximate

Structural Information

Molecular Formula

C₁₄H₁₉ClN₂O₃

SMILES

C/C(=N\OCC(=O)OCCN(C)C)/C1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H19ClN2O3/c1-11(12-4-6-13(15)7-5-12)16-20-10-14(18)19-9-8-17(2)3/h4-7H,8-10H2,1-3H3/b16-11+

InChIKey

TXUGZLRUFAAHAO-LFIBNONCSA-N

Compound name

2-(dimethylamino)ethyl 2-[(E)-1-(4-chlorophenyl)ethylideneamino]oxyacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 921
Patents: 298.10843 Da
Monoisotopic Mass: 2.8
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]+	299.115706	168.9
[M+Na]+	321.097648	174.8
[M-H]-	297.101154	174.8
[M+NH4]+	316.142253	185.7
[M+K]+	337.071588	173.2
[M+H-H2O]+	281.105690	161.9
[M+HCOO]-	343.106631	190.5
[M+CH3COO]-	357.122281	211.8
[M+Na-2H]-	319.083096	171.1
[M]+	298.10788142	176.3
[M]-	298.10897858	176.3

Literature stripe

literature stripe

Patent stripe

patents stripe