CID 3071980

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

Structural Information

Molecular Formula
C22H15ClN4O
SMILES
C1=CC=C(C=C1)N2C3=C(C=CC=N3)C4=C(C2=O)N(C=N4)CC5=CC=C(C=C5)Cl
InChI
InChI=1S/C22H15ClN4O/c23-16-10-8-15(9-11-16)13-26-14-25-19-18-7-4-12-24-21(18)27(22(28)20(19)26)17-5-2-1-3-6-17/h1-12,14H,13H2
InChIKey
GXXZQLRUBMVDRK-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)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

386.09344 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10072 193.0
[M+Na]+ 409.08266 206.1
[M-H]- 385.08616 199.9
[M+NH4]+ 404.12726 203.4
[M+K]+ 425.05660 196.1
[M+H-H2O]+ 369.09070 180.3
[M+HCOO]- 431.09164 207.1
[M+CH3COO]- 445.10729 203.0
[M+Na-2H]- 407.06811 197.9
[M]+ 386.09289 198.1
[M]- 386.09399 198.1
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