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]+ 243.12404 155.5
[M+Na]+ 265.10598 162.8
[M-H]- 241.10948 157.2
[M+NH4]+ 260.15058 169.7
[M+K]+ 281.07992 158.6
[M+H-H2O]+ 225.11402 145.0
[M+HCOO]- 287.11496 171.9
[M+CH3COO]- 301.13061 166.0
[M+Na-2H]- 263.09143 160.2
[M]+ 242.11621 153.3
[M]- 242.11731 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.