CID 44176356

2-(1h-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine

Structural Information

Molecular Formula
C19H19N5O3
SMILES
COCCOC1=C(C=C2C3=CC(=NC(=C3C=NC2=C1)N)N4C=CN=C4)OC
InChI
InChI=1S/C19H19N5O3/c1-25-5-6-27-17-9-15-13(7-16(17)26-2)12-8-18(24-4-3-21-11-24)23-19(20)14(12)10-22-15/h3-4,7-11H,5-6H2,1-2H3,(H2,20,23)
InChIKey
QSSGYSRUMIOURP-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-9-methoxy-8-(2-methoxyethoxy)benzo[f][2,7]naphthyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

365.1488 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.15608 186.8
[M+Na]+ 388.13802 197.8
[M-H]- 364.14152 190.9
[M+NH4]+ 383.18262 197.3
[M+K]+ 404.11196 192.0
[M+H-H2O]+ 348.14606 175.6
[M+HCOO]- 410.14700 206.4
[M+CH3COO]- 424.16265 197.0
[M+Na-2H]- 386.12347 192.3
[M]+ 365.14825 193.6
[M]- 365.14935 193.6
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