CID 54390932

6-chloro-n-(2-hydroxyethyl)pyridazine-3-carboxamide

Structural Information

Molecular Formula
C7H8ClN3O2
SMILES
C1=CC(=NN=C1C(=O)NCCO)Cl
InChI
InChI=1S/C7H8ClN3O2/c8-6-2-1-5(10-11-6)7(13)9-3-4-12/h1-2,12H,3-4H2,(H,9,13)
InChIKey
VGOQNMMCSBLOSK-UHFFFAOYSA-N
Compound name
6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

201.0305 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.037776 138.7
[M+Na]+ 224.019718 147.3
[M-H]- 200.023224 138.4
[M+NH4]+ 219.064323 155.1
[M+K]+ 239.993658 143.7
[M+H-H2O]+ 184.027760 132.1
[M+HCOO]- 246.028701 155.9
[M+CH3COO]- 260.044351 181.3
[M+Na-2H]- 222.005166 145.6
[M]+ 201.02995142 140.0
[M]- 201.03104858 140.0
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