CID 236871

6-amino-3-methyl-3h-naphtho[1,2,3-de]quinoline-2,7-dione

Structural Information

Molecular Formula
C17H12N2O2
SMILES
CN1C2=C3C(=CC1=O)C4=CC=CC=C4C(=O)C3=C(C=C2)N
InChI
InChI=1S/C17H12N2O2/c1-19-13-7-6-12(18)16-15(13)11(8-14(19)20)9-4-2-3-5-10(9)17(16)21/h2-8H,18H2,1H3
InChIKey
KWULQQPKJVEXMY-UHFFFAOYSA-N
Compound name
10-amino-14-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

276.08987 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.097146 161.7
[M+Na]+ 299.079088 173.4
[M-H]- 275.082594 166.5
[M+NH4]+ 294.123693 179.8
[M+K]+ 315.053028 167.4
[M+H-H2O]+ 259.087130 153.4
[M+HCOO]- 321.088071 180.9
[M+CH3COO]- 335.103721 174.0
[M+Na-2H]- 297.064536 169.4
[M]+ 276.08932142 163.5
[M]- 276.09041858 163.5
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