CID 3071983

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

Structural Information

Molecular Formula
C23H18N4O2
SMILES
COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C4=C3C=CC=N4)C5=CC=CC=C5
InChI
InChI=1S/C23H18N4O2/c1-29-18-11-9-16(10-12-18)14-26-15-25-20-19-8-5-13-24-22(19)27(23(28)21(20)26)17-6-3-2-4-7-17/h2-13,15H,14H2,1H3
InChIKey
UWCWRMZUZBYBAQ-UHFFFAOYSA-N
Compound name
3-[(4-methoxyphenyl)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

382.14297 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15025 194.2
[M+Na]+ 405.13219 205.8
[M-H]- 381.13569 201.5
[M+NH4]+ 400.17679 203.7
[M+K]+ 421.10613 197.4
[M+H-H2O]+ 365.14023 181.4
[M+HCOO]- 427.14117 212.7
[M+CH3COO]- 441.15682 204.1
[M+Na-2H]- 403.11764 199.2
[M]+ 382.14242 198.6
[M]- 382.14352 198.6
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