CID 3071977

4h-imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(2-ethoxyethyl)-5-phenyl-

Structural Information

Molecular Formula
C19H18N4O2
SMILES
CCOCCN1C=NC2=C1C(=O)N(C3=C2C=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C19H18N4O2/c1-2-25-12-11-22-13-21-16-15-9-6-10-20-18(15)23(19(24)17(16)22)14-7-4-3-5-8-14/h3-10,13H,2,11-12H2,1H3
InChIKey
KBZIXAAXNOSVCP-UHFFFAOYSA-N
Compound name
3-(2-ethoxyethyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

334.14297 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.150246 180.4
[M+Na]+ 357.132188 191.9
[M-H]- 333.135694 184.4
[M+NH4]+ 352.176793 192.5
[M+K]+ 373.106128 185.0
[M+H-H2O]+ 317.140230 169.1
[M+HCOO]- 379.141171 199.5
[M+CH3COO]- 393.156821 191.1
[M+Na-2H]- 355.117636 186.3
[M]+ 334.14242142 186.1
[M]- 334.14351858 186.1
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