CID 53906

77966-51-9

Structural Information

Molecular Formula

C₁₄H₂₁ClN₂O

SMILES

CCN(CC)CC(=O)N(C)C1=C(C=CC=C1Cl)C

InChI

InChI=1S/C14H21ClN2O/c1-5-17(6-2)10-13(18)16(4)14-11(3)8-7-9-12(14)15/h7-9H,5-6,10H2,1-4H3

InChIKey

GSLHYEZCCTVOKP-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-2-(diethylamino)-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.13425 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]+	269.141526	164.0
[M+Na]+	291.123468	170.7
[M-H]-	267.126974	170.2
[M+NH4]+	286.168073	182.5
[M+K]+	307.097408	168.6
[M+H-H2O]+	251.131510	157.6
[M+HCOO]-	313.132451	184.9
[M+CH3COO]-	327.148101	210.5
[M+Na-2H]-	289.108916	165.4
[M]+	268.13370142	169.7
[M]-	268.13479858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe