CID 62785518

6-benzyl-2h,3h,5h,6h,7h,8h-pyrido[4,3-c]pyridazin-3-one

Structural Information

Molecular Formula
C14H15N3O
SMILES
C1CN(CC2=CC(=O)NN=C21)CC3=CC=CC=C3
InChI
InChI=1S/C14H15N3O/c18-14-8-12-10-17(7-6-13(12)15-16-14)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,16,18)
InChIKey
ZUSORYUBBKGYIJ-UHFFFAOYSA-N
Compound name
6-benzyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 155.3
[M+Na]+ 264.11072 162.9
[M-H]- 240.11422 156.9
[M+NH4]+ 259.15532 168.6
[M+K]+ 280.08466 156.9
[M+H-H2O]+ 224.11876 145.3
[M+HCOO]- 286.11970 171.3
[M+CH3COO]- 300.13535 165.6
[M+Na-2H]- 262.09617 162.5
[M]+ 241.12095 151.3
[M]- 241.12205 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.