CID 199297

Brn 2812286

Structural Information

Molecular Formula

C₁₂H₁₇N₃O₃

SMILES

CN(C)CC(=O)NC(=O)NC1=CC=C(C=C1)OC

InChI

InChI=1S/C12H17N3O3/c1-15(2)8-11(16)14-12(17)13-9-4-6-10(18-3)7-5-9/h4-7H,8H2,1-3H3,(H2,13,14,16,17)

InChIKey

ZAILHBKJRIOMPW-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-N-[(4-methoxyphenyl)carbamoyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 251.127 Da
Monoisotopic Mass: 1.1
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]+	252.134276	157.7
[M+Na]+	274.116218	162.3
[M-H]-	250.119724	162.6
[M+NH4]+	269.160823	174.4
[M+K]+	290.090158	162.6
[M+H-H2O]+	234.124260	149.9
[M+HCOO]-	296.125201	183.9
[M+CH3COO]-	310.140851	204.2
[M+Na-2H]-	272.101666	161.2
[M]+	251.12645142	159.4
[M]-	251.12754858	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.