CID 73554549

1303588-33-1

Structural Information

Molecular Formula

C₁₀H₁₁ClN₂O

SMILES

CC1(CC(=O)NC2=C1C=CC(=N2)Cl)C

InChI

InChI=1S/C10H11ClN2O/c1-10(2)5-8(14)13-9-6(10)3-4-7(11)12-9/h3-4H,5H2,1-2H3,(H,12,13,14)

InChIKey

ZWMNQFUHFVYYJJ-UHFFFAOYSA-N

Compound name

7-chloro-4,4-dimethyl-1,3-dihydro-1,8-naphthyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 210.05598 Da
Monoisotopic Mass: 2.2
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]+	211.063256	142.4
[M+Na]+	233.045198	153.2
[M-H]-	209.048704	143.1
[M+NH4]+	228.089803	162.3
[M+K]+	249.019138	147.9
[M+H-H2O]+	193.053240	136.6
[M+HCOO]-	255.054181	155.3
[M+CH3COO]-	269.069831	154.9
[M+Na-2H]-	231.030646	149.4
[M]+	210.05543142	141.8
[M]-	210.05652858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe