CID 67533290

1112127-95-3

Structural Information

Molecular Formula
C16H11ClN2O4
SMILES
COC1=CC=C(C=C1)N2C3=C(C(=CC=C3)Cl)N=C(C2=O)C(=O)O
InChI
InChI=1S/C16H11ClN2O4/c1-23-10-7-5-9(6-8-10)19-12-4-2-3-11(17)13(12)18-14(15(19)20)16(21)22/h2-8H,1H3,(H,21,22)
InChIKey
VPEDJTGZXSMEEH-UHFFFAOYSA-N
Compound name
8-chloro-4-(4-methoxyphenyl)-3-oxoquinoxaline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

330.04074 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.04802 170.0
[M+Na]+ 353.02996 181.7
[M-H]- 329.03346 174.7
[M+NH4]+ 348.07456 182.6
[M+K]+ 369.00390 175.9
[M+H-H2O]+ 313.03800 161.5
[M+HCOO]- 375.03894 184.7
[M+CH3COO]- 389.05459 206.1
[M+Na-2H]- 351.01541 174.7
[M]+ 330.04019 175.5
[M]- 330.04129 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe