CID 3071985

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

Structural Information

Molecular Formula
C18H16N4O2
SMILES
CC(CN1C=NC2=C1C(=O)N(C3=C2C=CC=N3)C4=CC=CC=C4)O
InChI
InChI=1S/C18H16N4O2/c1-12(23)10-21-11-20-15-14-8-5-9-19-17(14)22(18(24)16(15)21)13-6-3-2-4-7-13/h2-9,11-12,23H,10H2,1H3
InChIKey
HPWGTOWNNHWDPB-UHFFFAOYSA-N
Compound name
3-(2-hydroxypropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

320.12732 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13460 175.7
[M+Na]+ 343.11654 187.0
[M-H]- 319.12004 178.9
[M+NH4]+ 338.16114 187.7
[M+K]+ 359.09048 180.0
[M+H-H2O]+ 303.12458 165.4
[M+HCOO]- 365.12552 192.8
[M+CH3COO]- 379.14117 186.2
[M+Na-2H]- 341.10199 181.0
[M]+ 320.12677 179.0
[M]- 320.12787 179.0
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