CID 455411

5cl-6aza-dc

Structural Information

Molecular Formula
C9H12ClN3O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C(=O)C=C(C(=N2)Cl)N)CO)O
InChI
InChI=1S/C9H12ClN3O4/c10-9-4(11)1-7(16)13(12-9)8-2-5(15)6(3-14)17-8/h1,5-6,8,14-15H,2-3,11H2/t5-,6+,8+/m0/s1
InChIKey
FIPVGHQFUAVVGP-SHYZEUOFSA-N
Compound name
5-amino-6-chloro-2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.05164 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.05892 154.8
[M+Na]+ 284.04086 164.8
[M-H]- 260.04436 157.4
[M+NH4]+ 279.08546 168.8
[M+K]+ 300.01480 161.1
[M+H-H2O]+ 244.04890 148.2
[M+HCOO]- 306.04984 168.7
[M+CH3COO]- 320.06549 190.3
[M+Na-2H]- 282.02631 156.0
[M]+ 261.05109 155.1
[M]- 261.05219 155.1
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.