CID 54087

C 3235

Structural Information

Molecular Formula

C₁₆H₂₆N₂O

SMILES

CCN(CC)CCNC(=O)C1=C(C=C(C=C1C)C)C

InChI

InChI=1S/C16H26N2O/c1-6-18(7-2)9-8-17-16(19)15-13(4)10-12(3)11-14(15)5/h10-11H,6-9H2,1-5H3,(H,17,19)

InChIKey

MXTNBUZJIXEDRG-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.2045 Da
Monoisotopic Mass: 3.1
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]+	263.21178	166.1
[M+Na]+	285.19372	171.8
[M-H]-	261.19722	171.0
[M+NH4]+	280.23832	183.7
[M+K]+	301.16766	170.1
[M+H-H2O]+	245.20176	158.9
[M+HCOO]-	307.20270	190.3
[M+CH3COO]-	321.21835	210.6
[M+Na-2H]-	283.17917	167.0
[M]+	262.20395	169.5
[M]-	262.20505	169.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe