CID 53888

77966-42-8

Structural Information

Molecular Formula

C₁₇H₂₇ClN₂O

SMILES

CCCCN(CCCC)CC(=O)NC1=C(C=CC=C1Cl)C

InChI

InChI=1S/C17H27ClN2O/c1-4-6-11-20(12-7-5-2)13-16(21)19-17-14(3)9-8-10-15(17)18/h8-10H,4-7,11-13H2,1-3H3,(H,19,21)

InChIKey

GQEIEHAXWCSWHT-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-2-(dibutylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 310.18118 Da
Monoisotopic Mass: 3.8
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]+	311.188456	178.4
[M+Na]+	333.170398	183.5
[M-H]-	309.173904	182.4
[M+NH4]+	328.215003	194.5
[M+K]+	349.144338	179.3
[M+H-H2O]+	293.178440	171.5
[M+HCOO]-	355.179381	197.7
[M+CH3COO]-	369.195031	216.0
[M+Na-2H]-	331.155846	178.8
[M]+	310.18063142	183.8
[M]-	310.18172858	183.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe