CID 9841417

Gpd-1116

Structural Information

Molecular Formula
C22H16N4O
SMILES
C1=CC=C(C=C1)CC2=C3C(=NN2)C4=C(N=CC=C4)N(C3=O)C5=CC=CC=C5
InChI
InChI=1S/C22H16N4O/c27-22-19-18(14-15-8-3-1-4-9-15)24-25-20(19)17-12-7-13-23-21(17)26(22)16-10-5-2-6-11-16/h1-13H,14H2,(H,24,25)
InChIKey
NOZMPLJNURLIAQ-UHFFFAOYSA-N
Compound name
3-benzyl-5-phenyl-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

269
Patents

352.13242 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13970 185.1
[M+Na]+ 375.12164 196.3
[M-H]- 351.12514 191.0
[M+NH4]+ 370.16624 195.1
[M+K]+ 391.09558 186.5
[M+H-H2O]+ 335.12968 173.0
[M+HCOO]- 397.13062 202.6
[M+CH3COO]- 411.14627 194.8
[M+Na-2H]- 373.10709 191.3
[M]+ 352.13187 186.0
[M]- 352.13297 186.0
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