CID 163052

64544-24-7

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O₃

SMILES

C1COCC[N+]1(CCNC(=O)C2=CC=C(C=C2)Cl)[O-]

InChI

InChI=1S/C13H17ClN2O3/c14-12-3-1-11(2-4-12)13(17)15-5-6-16(18)7-9-19-10-8-16/h1-4H,5-10H2,(H,15,17)

InChIKey

CJTZZADPEGGIMM-UHFFFAOYSA-N

Compound name

4-chloro-N-[2-(4-oxidomorpholin-4-ium-4-yl)ethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 10
Patents: 284.09277 Da
Monoisotopic Mass: 1.5
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]+	285.10005	162.0
[M+Na]+	307.08199	175.5
[M+NH4]+	302.12659	171.4
[M+K]+	323.05593	168.8
[M-H]-	283.08549	167.6
[M+Na-2H]-	305.06744	169.6
[M]+	284.09222	165.8
[M]-	284.09332	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe