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

3
Annotation Hits: 15
References: 936
Patents: 197.12766 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.134936	143.8
[M+Na]+	220.116878	149.5
[M-H]-	196.120384	144.6
[M+NH4]+	215.161483	159.3
[M+K]+	236.090818	148.6
[M+H-H2O]+	180.124920	135.5
[M+HCOO]-	242.125861	166.9
[M+CH3COO]-	256.141511	193.0
[M+Na-2H]-	218.102326	149.6
[M]+	197.12711142	141.7
[M]-	197.12820858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe