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

29
Patents

282.04074 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.048016 155.4
[M+Na]+ 305.029958 168.1
[M-H]- 281.033464 158.4
[M+NH4]+ 300.074563 171.3
[M+K]+ 321.003898 164.5
[M+H-H2O]+ 265.038000 148.6
[M+HCOO]- 327.038941 171.7
[M+CH3COO]- 341.054591 200.5
[M+Na-2H]- 303.015406 160.3
[M]+ 282.04019142 163.9
[M]- 282.04128858 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe