CID 68829

Pildralazine dihydrochloride

Structural Information

Molecular Formula
C8H15N5O
SMILES
CC(CN(C)C1=NN=C(C=C1)NN)O
InChI
InChI=1S/C8H15N5O/c1-6(14)5-13(2)8-4-3-7(10-9)11-12-8/h3-4,6,14H,5,9H2,1-2H3,(H,10,11)
InChIKey
KYIAWOXNPBANEW-UHFFFAOYSA-N
Compound name
1-[(6-hydrazinylpyridazin-3-yl)-methylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

899
Patents

197.12766 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.13494 142.9
[M+Na]+ 220.11688 151.6
[M+NH4]+ 215.16148 149.0
[M+K]+ 236.09082 148.2
[M-H]- 196.12038 144.2
[M+Na-2H]- 218.10233 148.1
[M]+ 197.12711 144.0
[M]- 197.12821 144.0
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