CID 571831

Gb-104

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₂

SMILES

CN(C)C(=O)CN(C1=CC=CC=C1)C(=O)N

InChI

InChI=1S/C11H15N3O2/c1-13(2)10(15)8-14(11(12)16)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,12,16)

InChIKey

ROYZKJRJZXUEFD-UHFFFAOYSA-N

Compound name

2-(N-carbamoylanilino)-N,N-dimethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 221.11642 Da
Monoisotopic Mass: 0.2
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]+	222.123696	151.0
[M+Na]+	244.105638	155.3
[M-H]-	220.109144	156.7
[M+NH4]+	239.150243	169.0
[M+K]+	260.079578	156.3
[M+H-H2O]+	204.113680	143.3
[M+HCOO]-	266.114621	177.2
[M+CH3COO]-	280.130271	201.3
[M+Na-2H]-	242.091086	153.9
[M]+	221.11587142	150.9
[M]-	221.11696858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe