CID 65836

Endixaprine

Structural Information

Molecular Formula
C15H15Cl2N3O
SMILES
C1CN(CCC1O)C2=NN=C(C=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H15Cl2N3O/c16-10-1-2-12(13(17)9-10)14-3-4-15(19-18-14)20-7-5-11(21)6-8-20/h1-4,9,11,21H,5-8H2
InChIKey
COWWILCLLRVLSC-UHFFFAOYSA-N
Compound name
1-[6-(2,4-dichlorophenyl)pyridazin-3-yl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

27
Patents

323.0592 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.06648 171.5
[M+Na]+ 346.04842 180.0
[M-H]- 322.05192 174.4
[M+NH4]+ 341.09302 181.9
[M+K]+ 362.02236 172.4
[M+H-H2O]+ 306.05646 161.3
[M+HCOO]- 368.05740 177.2
[M+CH3COO]- 382.07305 180.5
[M+Na-2H]- 344.03387 173.7
[M]+ 323.05865 169.8
[M]- 323.05975 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe