CID 198477

4-iodo-n-(2-(4-morpholinyl)ethyl)benzamide

Structural Information

Molecular Formula

C₁₃H₁₇IN₂O₂

SMILES

C1COCCN1CCNC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C13H17IN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)

InChIKey

SRCOTPAWAAQWLW-UHFFFAOYSA-N

Compound name

4-iodo-N-(2-morpholin-4-ylethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 52
Patents: 360.03348 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]+	361.04076	170.7
[M+Na]+	383.02270	174.0
[M+NH4]+	378.06730	173.6
[M+K]+	398.99664	171.0
[M-H]-	359.02620	168.8
[M+Na-2H]-	381.00815	163.6
[M]+	360.03293	169.3
[M]-	360.03403	169.3

Literature stripe

literature stripe

Patent stripe

patents stripe