CID 68829

Pildralazine

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
2
Annotation Hits

15
References

934
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 143.8
[M+Na]+ 220.11688 149.5
[M-H]- 196.12038 144.6
[M+NH4]+ 215.16148 159.3
[M+K]+ 236.09082 148.6
[M+H-H2O]+ 180.12492 135.5
[M+HCOO]- 242.12586 166.9
[M+CH3COO]- 256.14151 193.0
[M+Na-2H]- 218.10233 149.6
[M]+ 197.12711 141.7
[M]- 197.12821 141.7
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.