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]+ 242.128776 155.3
[M+Na]+ 264.110718 162.9
[M-H]- 240.114224 156.9
[M+NH4]+ 259.155323 168.6
[M+K]+ 280.084658 156.9
[M+H-H2O]+ 224.118760 145.3
[M+HCOO]- 286.119701 171.3
[M+CH3COO]- 300.135351 165.6
[M+Na-2H]- 262.096166 162.5
[M]+ 241.12095142 151.3
[M]- 241.12204858 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.