CID 387485

Nsc681286

Structural Information

Molecular Formula

C₁₁H₇ClN₂O₂

SMILES

CC1=NC2=C(O1)C3=C(C=CC(=C3)Cl)NC2=O

InChI

InChI=1S/C11H7ClN2O2/c1-5-13-9-10(16-5)7-4-6(12)2-3-8(7)14-11(9)15/h2-4H,1H3,(H,14,15)

InChIKey

GDGJGZYQFLSNFO-UHFFFAOYSA-N

Compound name

8-chloro-2-methyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 234.0196 Da
Monoisotopic Mass: 2.3
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]+	235.02688	145.7
[M+Na]+	257.00882	160.4
[M-H]-	233.01232	149.3
[M+NH4]+	252.05342	164.5
[M+K]+	272.98276	155.0
[M+H-H2O]+	217.01686	139.6
[M+HCOO]-	279.01780	162.2
[M+CH3COO]-	293.03345	159.9
[M+Na-2H]-	254.99427	153.8
[M]+	234.01905	151.6
[M]-	234.02015	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe