CID 68894

Oxazafone

Structural Information

Molecular Formula

C₁₉H₂₁ClN₂O₃

SMILES

CN(CCO)CC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H21ClN2O3/c1-21(10-11-23)13-18(24)22(2)17-9-8-15(20)12-16(17)19(25)14-6-4-3-5-7-14/h3-9,12,23H,10-11,13H2,1-2H3

InChIKey

PGOZOAJPDMEYFX-UHFFFAOYSA-N

Compound name

N-(2-benzoyl-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 49
Patents: 360.12408 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]+	361.131356	184.8
[M+Na]+	383.113298	189.8
[M-H]-	359.116804	192.4
[M+NH4]+	378.157903	197.9
[M+K]+	399.087238	186.6
[M+H-H2O]+	343.121340	176.7
[M+HCOO]-	405.122281	203.6
[M+CH3COO]-	419.137931	222.7
[M+Na-2H]-	381.098746	184.8
[M]+	360.12353142	189.7
[M]-	360.12462858	189.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe