CID 2815677

Mls000858799

Structural Information

Molecular Formula
C13H16N4O2
SMILES
CCOC(=O)C1=CN2C(=N1)C=CC(=N2)N3CCCC3
InChI
InChI=1S/C13H16N4O2/c1-2-19-13(18)10-9-17-11(14-10)5-6-12(15-17)16-7-3-4-8-16/h5-6,9H,2-4,7-8H2,1H3
InChIKey
SCYHSGDDLVFVOP-UHFFFAOYSA-N
Compound name
ethyl 6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

260.12732 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.134596 158.7
[M+Na]+ 283.116538 167.5
[M-H]- 259.120044 161.6
[M+NH4]+ 278.161143 174.4
[M+K]+ 299.090478 164.5
[M+H-H2O]+ 243.124580 149.2
[M+HCOO]- 305.125521 177.6
[M+CH3COO]- 319.141171 170.2
[M+Na-2H]- 281.101986 160.7
[M]+ 260.12677142 160.6
[M]- 260.12786858 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.