CID 253693

7-amino-6-methoxy-5,8-quinolinedione

Structural Information

Molecular Formula
C10H8N2O3
SMILES
COC1=C(C(=O)C2=C(C1=O)C=CC=N2)N
InChI
InChI=1S/C10H8N2O3/c1-15-10-6(11)9(14)7-5(8(10)13)3-2-4-12-7/h2-4H,11H2,1H3
InChIKey
NLVITWPVYZJFCX-UHFFFAOYSA-N
Compound name
7-amino-6-methoxyquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

204.0535 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.060776 139.6
[M+Na]+ 227.042718 150.2
[M-H]- 203.046224 143.3
[M+NH4]+ 222.087323 158.4
[M+K]+ 243.016658 147.5
[M+H-H2O]+ 187.050760 133.0
[M+HCOO]- 249.051701 162.4
[M+CH3COO]- 263.067351 188.3
[M+Na-2H]- 225.028166 146.2
[M]+ 204.05295142 140.5
[M]- 204.05404858 140.5
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