CID 128123

102582-79-6

Structural Information

Molecular Formula

C₁₄H₁₈ClN₃O

SMILES

CC1=NC2=C(C=CC(=C2)Cl)N(C1=O)CCCN(C)C

InChI

InChI=1S/C14H18ClN3O/c1-10-14(19)18(8-4-7-17(2)3)13-6-5-11(15)9-12(13)16-10/h5-6,9H,4,7-8H2,1-3H3

InChIKey

KAYQXUPJAPJBPJ-UHFFFAOYSA-N

Compound name

6-chloro-1-[3-(dimethylamino)propyl]-3-methylquinoxalin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 279.11383 Da
Monoisotopic Mass: 1.9
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]+	280.12111	163.0
[M+Na]+	302.10305	173.6
[M-H]-	278.10655	166.4
[M+NH4]+	297.14765	179.4
[M+K]+	318.07699	168.9
[M+H-H2O]+	262.11109	155.1
[M+HCOO]-	324.11203	180.3
[M+CH3COO]-	338.12768	207.0
[M+Na-2H]-	300.08850	168.0
[M]+	279.11328	169.3
[M]-	279.11438	169.3

Literature stripe

literature stripe

Patent stripe

patents stripe