CID 3071984

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

Structural Information

Molecular Formula
C18H16N4O2
SMILES
C1=CC=C(C=C1)N2C3=C(C=CC=N3)C4=C(C2=O)N(C=N4)CCCO
InChI
InChI=1S/C18H16N4O2/c23-11-5-10-21-12-20-15-14-8-4-9-19-17(14)22(18(24)16(15)21)13-6-2-1-3-7-13/h1-4,6-9,12,23H,5,10-11H2
InChIKey
VMYLVWIWVUFBJC-UHFFFAOYSA-N
Compound name
3-(3-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

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13460 175.5
[M+Na]+ 343.11654 192.5
[M+NH4]+ 338.16114 182.5
[M+K]+ 359.09048 185.9
[M-H]- 319.12004 178.3
[M+Na-2H]- 341.10199 183.2
[M]+ 320.12677 178.8
[M]- 320.12787 178.8
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