CID 38999958

6-chloro-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine

Structural Information

Molecular Formula
C7H7ClN4
SMILES
CCC1=NN=C2N1N=C(C=C2)Cl
InChI
InChI=1S/C7H7ClN4/c1-2-6-9-10-7-4-3-5(8)11-12(6)7/h3-4H,2H2,1H3
InChIKey
FXGLEUMJGWWUAL-UHFFFAOYSA-N
Compound name
6-chloro-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

182.03592 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.043196 134.2
[M+Na]+ 205.025138 147.5
[M-H]- 181.028644 134.0
[M+NH4]+ 200.069743 152.9
[M+K]+ 220.999078 143.0
[M+H-H2O]+ 165.033180 126.1
[M+HCOO]- 227.034121 151.3
[M+CH3COO]- 241.049771 148.0
[M+Na-2H]- 203.010586 142.6
[M]+ 182.03537142 138.8
[M]- 182.03646858 138.8
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

patents stripe