CID 11086414

8,9,9-trimethoxy-9h-benzo[de][1,6]naphthyridine

Structural Information

Molecular Formula
C14H14N2O3
SMILES
COC1=CC2=C3C(=NC=C2)C=CN=C3C1(OC)OC
InChI
InChI=1S/C14H14N2O3/c1-17-11-8-9-4-6-15-10-5-7-16-13(12(9)10)14(11,18-2)19-3/h4-8H,1-3H3
InChIKey
FMLNWBVUWATIIH-UHFFFAOYSA-N
Compound name
11,12,12-trimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13),10-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

258.10043 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 157.7
[M+Na]+ 281.08965 168.1
[M-H]- 257.09315 160.3
[M+NH4]+ 276.13425 176.5
[M+K]+ 297.06359 165.4
[M+H-H2O]+ 241.09769 149.0
[M+HCOO]- 303.09863 176.7
[M+CH3COO]- 317.11428 170.1
[M+Na-2H]- 279.07510 167.9
[M]+ 258.09988 164.0
[M]- 258.10098 164.0
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.