CID 162587

Brn 2999009

Structural Information

Molecular Formula

C₁₆H₂₅N₃O₂

SMILES

CCN(CC)CC(=O)NC(=O)CNC1=C(C=CC=C1C)C

InChI

InChI=1S/C16H25N3O2/c1-5-19(6-2)11-15(21)18-14(20)10-17-16-12(3)8-7-9-13(16)4/h7-9,17H,5-6,10-11H2,1-4H3,(H,18,20,21)

InChIKey

GDIMEORILKFOSR-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)acetyl]-2-(2,6-dimethylanilino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 291.19467 Da
Monoisotopic Mass: 2.6
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]+	292.201946	173.1
[M+Na]+	314.183888	176.9
[M-H]-	290.187394	177.6
[M+NH4]+	309.228493	188.5
[M+K]+	330.157828	175.7
[M+H-H2O]+	274.191930	165.0
[M+HCOO]-	336.192871	197.6
[M+CH3COO]-	350.208521	216.0
[M+Na-2H]-	312.169336	173.7
[M]+	291.19412142	175.2
[M]-	291.19521858	175.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe