CID 56710

Fc 142

Structural Information

Molecular Formula

C₁₇H₂₆N₂O₃

SMILES

CCN(CC)C(=O)CN(C1=C(C=CC=C1C)C)C(=O)OCC

InChI

InChI=1S/C17H26N2O3/c1-6-18(7-2)15(20)12-19(17(21)22-8-3)16-13(4)10-9-11-14(16)5/h9-11H,6-8,12H2,1-5H3

InChIKey

IBKFROSLVIUNSK-UHFFFAOYSA-N

Compound name

ethyl N-[2-(diethylamino)-2-oxoethyl]-N-(2,6-dimethylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 306.19434 Da
Monoisotopic Mass: 3.0
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]+	307.201616	176.1
[M+Na]+	329.183558	180.6
[M-H]-	305.187064	182.0
[M+NH4]+	324.228163	192.0
[M+K]+	345.157498	181.1
[M+H-H2O]+	289.191600	168.1
[M+HCOO]-	351.192541	200.1
[M+CH3COO]-	365.208191	218.6
[M+Na-2H]-	327.169006	175.3
[M]+	306.19379142	182.1
[M]-	306.19488858	182.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe