CID 455937

Schembl5451525

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂O₃

SMILES

CC(=C)OC(=O)N1C2=C(C=CC(=C2)Cl)NC(=O)C1(C)C

InChI

InChI=1S/C14H15ClN2O3/c1-8(2)20-13(19)17-11-7-9(15)5-6-10(11)16-12(18)14(17,3)4/h5-7H,1H2,2-4H3,(H,16,18)

InChIKey

XGYJDWCIYHZKSU-UHFFFAOYSA-N

Compound name

prop-1-en-2-yl 7-chloro-2,2-dimethyl-3-oxo-4H-quinoxaline-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 294.07712 Da
Monoisotopic Mass: 2.7
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]+	295.084396	162.0
[M+Na]+	317.066338	172.0
[M-H]-	293.069844	162.9
[M+NH4]+	312.110943	178.6
[M+K]+	333.040278	167.0
[M+H-H2O]+	277.074380	156.5
[M+HCOO]-	339.075321	172.5
[M+CH3COO]-	353.090971	199.6
[M+Na-2H]-	315.051786	164.5
[M]+	294.07657142	163.7
[M]-	294.07766858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe