CID 16227712

105076-76-4

Structural Information

Molecular Formula

C₁₂H₁₇N₃O₂

SMILES

C1COCCN1CC(=O)NC2=CC=C(C=C2)N

InChI

InChI=1S/C12H17N3O2/c13-10-1-3-11(4-2-10)14-12(16)9-15-5-7-17-8-6-15/h1-4H,5-9,13H2,(H,14,16)

InChIKey

STBXWCPKHDZQSX-UHFFFAOYSA-N

Compound name

N-(4-aminophenyl)-2-morpholin-4-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 235.13208 Da
Monoisotopic Mass: 0.1
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]+	236.13936	154.8
[M+Na]+	258.12130	164.7
[M+NH4]+	253.16590	161.9
[M+K]+	274.09524	159.6
[M-H]-	234.12480	159.7
[M+Na-2H]-	256.10675	160.5
[M]+	235.13153	157.2
[M]-	235.13263	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe