CID 147056

104077-15-8

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂O₄

SMILES

CN1C2=CC(=C(C=C2N=C(C1=O)C(=O)Cl)OC)OC

InChI

InChI=1S/C12H11ClN2O4/c1-15-7-5-9(19-3)8(18-2)4-6(7)14-10(11(13)16)12(15)17/h4-5H,1-3H3

InChIKey

HQUXEWBKFUSDKC-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-4-methyl-3-oxoquinoxaline-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 37
Patents: 282.04074 Da
Monoisotopic Mass: 1.8
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]+	283.04802	157.2
[M+Na]+	305.02996	172.6
[M+NH4]+	300.07456	163.9
[M+K]+	321.00390	166.6
[M-H]-	281.03346	157.7
[M+Na-2H]-	303.01541	162.4
[M]+	282.04019	159.8
[M]-	282.04129	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe