CID 54470

80008-12-4

Structural Information

Molecular Formula

C₁₅H₁₈ClN₃O

SMILES

CC(C)(C)NC(=O)CNC1=C2C=CC(=CC2=NC=C1)Cl

InChI

InChI=1S/C15H18ClN3O/c1-15(2,3)19-14(20)9-18-12-6-7-17-13-8-10(16)4-5-11(12)13/h4-8H,9H2,1-3H3,(H,17,18)(H,19,20)

InChIKey

YJJNDFATZOZILN-UHFFFAOYSA-N

Compound name

N-tert-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 291.11383 Da
Monoisotopic Mass: 3.3
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]+	292.121106	168.1
[M+Na]+	314.103048	175.8
[M-H]-	290.106554	171.2
[M+NH4]+	309.147653	184.1
[M+K]+	330.076988	170.6
[M+H-H2O]+	274.111090	161.4
[M+HCOO]-	336.112031	184.5
[M+CH3COO]-	350.127681	206.4
[M+Na-2H]-	312.088496	174.8
[M]+	291.11328142	170.4
[M]-	291.11437858	170.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.