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]+ 202.03778 138.7
[M+Na]+ 224.01972 147.3
[M-H]- 200.02322 138.4
[M+NH4]+ 219.06432 155.1
[M+K]+ 239.99366 143.7
[M+H-H2O]+ 184.02776 132.1
[M+HCOO]- 246.02870 155.9
[M+CH3COO]- 260.04435 181.3
[M+Na-2H]- 222.00517 145.6
[M]+ 201.02995 140.0
[M]- 201.03105 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