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]+ 216.124376 150.4
[M+Na]+ 238.106318 159.3
[M-H]- 214.109824 149.9
[M+NH4]+ 233.150923 164.1
[M+K]+ 254.080258 153.9
[M+H-H2O]+ 198.114360 140.0
[M+HCOO]- 260.115301 165.2
[M+CH3COO]- 274.130951 160.8
[M+Na-2H]- 236.091766 155.8
[M]+ 215.11655142 146.6
[M]- 215.11764858 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.