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

literature stripe

Patent stripe

patents stripe