CID 366886

Nsc635929

Structural Information

Molecular Formula
C16H11N3O2
SMILES
CC1=C2C=CNC(=O)C2=CC3=C1NC4=C(C3=O)C=NC=C4
InChI
InChI=1S/C16H11N3O2/c1-8-9-2-5-18-16(21)10(9)6-11-14(8)19-13-3-4-17-7-12(13)15(11)20/h2-7H,1H3,(H,18,21)(H,19,20)
InChIKey
HPOHFRLXNCOIQM-UHFFFAOYSA-N
Compound name
6-methyl-5,9-dihydroisoquinolino[6,7-b][1,6]naphthyridine-10,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0851 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09238 162.7
[M+Na]+ 300.07432 176.2
[M-H]- 276.07782 163.8
[M+NH4]+ 295.11892 176.9
[M+K]+ 316.04826 167.7
[M+H-H2O]+ 260.08236 153.6
[M+HCOO]- 322.08330 179.0
[M+CH3COO]- 336.09895 174.0
[M+Na-2H]- 298.05977 172.8
[M]+ 277.08455 163.9
[M]- 277.08565 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.