CID 125424866

2093803-16-6

Structural Information

Molecular Formula
C11H13N5
SMILES
CN1C=C(C=N1)C2=NN=C3CCNCC3=C2
InChI
InChI=1S/C11H13N5/c1-16-7-9(6-13-16)11-4-8-5-12-3-2-10(8)14-15-11/h4,6-7,12H,2-3,5H2,1H3
InChIKey
PAOGPRFDDNAJOP-UHFFFAOYSA-N
Compound name
3-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1171 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12438 150.4
[M+Na]+ 238.10632 159.3
[M-H]- 214.10982 149.9
[M+NH4]+ 233.15092 164.1
[M+K]+ 254.08026 153.9
[M+H-H2O]+ 198.11436 140.0
[M+HCOO]- 260.11530 165.2
[M+CH3COO]- 274.13095 160.8
[M+Na-2H]- 236.09177 155.8
[M]+ 215.11655 146.6
[M]- 215.11765 146.6
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.