CID 479346

6,11-dioxo-10b-hydroindolino[1,2-a]pyridino[4,3-d]pyrimidine-8-carbaldehyde

Structural Information

Molecular Formula
C15H7N3O3
SMILES
C1=CC2=C(C=C1C=O)C(=O)C3=NC4=C(C=NC=C4)C(=O)N23
InChI
InChI=1S/C15H7N3O3/c19-7-8-1-2-12-9(5-8)13(20)14-17-11-3-4-16-6-10(11)15(21)18(12)14/h1-7H
InChIKey
KXOVYLQQABLYKD-UHFFFAOYSA-N
Compound name
9,17-dioxo-2,6,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-14-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.04874 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05602 160.2
[M+Na]+ 300.03796 173.9
[M-H]- 276.04146 164.0
[M+NH4]+ 295.08256 177.4
[M+K]+ 316.01190 167.8
[M+H-H2O]+ 260.04600 151.5
[M+HCOO]- 322.04694 179.7
[M+CH3COO]- 336.06259 173.0
[M+Na-2H]- 298.02341 167.5
[M]+ 277.04819 164.7
[M]- 277.04929 164.7
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

No patent data available for this compound.