CID 3049770

2-morpholinoethyl-4,5-dichloro-3(2h)-pyridazinone hydrochloride

Structural Information

Molecular Formula
C10H13Cl2N3O2
SMILES
C1COCCN1CCN2C(=O)C(=C(C=N2)Cl)Cl
InChI
InChI=1S/C10H13Cl2N3O2/c11-8-7-13-15(10(16)9(8)12)2-1-14-3-5-17-6-4-14/h7H,1-6H2
InChIKey
BEWINPVSLXOAQS-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-(2-morpholin-4-ylethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

277.03848 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04576 157.6
[M+Na]+ 300.02770 166.6
[M-H]- 276.03120 159.5
[M+NH4]+ 295.07230 169.4
[M+K]+ 316.00164 162.4
[M+H-H2O]+ 260.03574 148.7
[M+HCOO]- 322.03668 164.5
[M+CH3COO]- 336.05233 194.3
[M+Na-2H]- 298.01315 161.6
[M]+ 277.03793 159.0
[M]- 277.03903 159.0
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