CID 43327011

1097132-48-3

Structural Information

Molecular Formula
C13H11ClN4O2
SMILES
COC1=CC=CC(=C1OC)C2=NN=C3N2N=C(C=C3)Cl
InChI
InChI=1S/C13H11ClN4O2/c1-19-9-5-3-4-8(12(9)20-2)13-16-15-11-7-6-10(14)17-18(11)13/h3-7H,1-2H3
InChIKey
UECQAZNRBHDLBC-UHFFFAOYSA-N
Compound name
6-chloro-3-(2,3-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.05707 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.06435 162.4
[M+Na]+ 313.04629 175.9
[M-H]- 289.04979 165.9
[M+NH4]+ 308.09089 176.6
[M+K]+ 329.02023 170.2
[M+H-H2O]+ 273.05433 152.6
[M+HCOO]- 335.05527 179.1
[M+CH3COO]- 349.07092 174.9
[M+Na-2H]- 311.03174 168.5
[M]+ 290.05652 170.2
[M]- 290.05762 170.2
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.