CID 54608

Brn 5556456

Structural Information

Molecular Formula
C13H14N4O
SMILES
C1CCN(C1)C(=O)CC2=CC3=C(C=CC=N3)N=N2
InChI
InChI=1S/C13H14N4O/c18-13(17-6-1-2-7-17)9-10-8-12-11(16-15-10)4-3-5-14-12/h3-5,8H,1-2,6-7,9H2
InChIKey
ZKPIWCZDSIDDRQ-UHFFFAOYSA-N
Compound name
2-pyrido[3,2-c]pyridazin-3-yl-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.11676 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.124036 155.5
[M+Na]+ 265.105978 162.8
[M-H]- 241.109484 157.2
[M+NH4]+ 260.150583 169.7
[M+K]+ 281.079918 158.6
[M+H-H2O]+ 225.114020 145.0
[M+HCOO]- 287.114961 171.9
[M+CH3COO]- 301.130611 166.0
[M+Na-2H]- 263.091426 160.2
[M]+ 242.11621142 153.3
[M]- 242.11730858 153.3
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.