CID 3071941

Kf18280

Structural Information

Molecular Formula
C22H16N4O
SMILES
C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C4=C3C=CC=N4)C5=CC=CC=C5
InChI
InChI=1S/C22H16N4O/c27-22-20-19(24-15-25(20)14-16-8-3-1-4-9-16)18-12-7-13-23-21(18)26(22)17-10-5-2-6-11-17/h1-13,15H,14H2
InChIKey
HNQGGXAGBKEMKM-UHFFFAOYSA-N
Compound name
3-benzyl-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

352.13242 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13970 184.4
[M+Na]+ 375.12164 204.5
[M+NH4]+ 370.16624 192.8
[M+K]+ 391.09558 195.6
[M-H]- 351.12514 190.8
[M+Na-2H]- 373.10709 196.0
[M]+ 352.13187 189.4
[M]- 352.13297 189.4
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