CID 71952

Prizidilol

Structural Information

Molecular Formula

C₁₇H₂₅N₅O₂

SMILES

CC(C)(C)NCC(COC1=CC=CC=C1C2=NN=C(C=C2)NN)O

InChI

InChI=1S/C17H25N5O2/c1-17(2,3)19-10-12(23)11-24-15-7-5-4-6-13(15)14-8-9-16(20-18)22-21-14/h4-9,12,19,23H,10-11,18H2,1-3H3,(H,20,22)

InChIKey

QGONODUKOFNSOY-UHFFFAOYSA-N

Compound name

1-(tert-butylamino)-3-[2-(6-hydrazinylpyridazin-3-yl)phenoxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 51
References: 696
Patents: 331.20084 Da
Monoisotopic Mass: 1.0
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]+	332.208116	179.9
[M+Na]+	354.190058	183.9
[M-H]-	330.193564	182.0
[M+NH4]+	349.234663	189.1
[M+K]+	370.163998	180.1
[M+H-H2O]+	314.198100	170.1
[M+HCOO]-	376.199041	199.4
[M+CH3COO]-	390.214691	215.8
[M+Na-2H]-	352.175506	185.0
[M]+	331.20029142	178.5
[M]-	331.20138858	178.5

Literature stripe

literature stripe

Patent stripe

patents stripe