CID 3071982

139482-44-3

Structural Information

Molecular Formula
C23H18N4O
SMILES
CC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C4=C3C=CC=N4)C5=CC=CC=C5
InChI
InChI=1S/C23H18N4O/c1-16-9-11-17(12-10-16)14-26-15-25-20-19-8-5-13-24-22(19)27(23(28)21(20)26)18-6-3-2-4-7-18/h2-13,15H,14H2,1H3
InChIKey
SJFPZCIJEQQZEO-UHFFFAOYSA-N
Compound name
3-[(4-methylphenyl)methyl]-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

366.14807 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15535 189.4
[M+Na]+ 389.13729 209.6
[M+NH4]+ 384.18189 197.7
[M+K]+ 405.11123 200.8
[M-H]- 365.14079 195.9
[M+Na-2H]- 387.12274 200.5
[M]+ 366.14752 194.5
[M]- 366.14862 194.5
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