CID 28115231

1826671-75-3

Structural Information

Molecular Formula

C₁₂H₁₄N₄O

SMILES

C1CN(CCN1)C(=O)C2=NNC3=CC=CC=C32

InChI

InChI=1S/C12H14N4O/c17-12(16-7-5-13-6-8-16)11-9-3-1-2-4-10(9)14-15-11/h1-4,13H,5-8H2,(H,14,15)

InChIKey

IKYKESQWTJEIEG-UHFFFAOYSA-N

Compound name

1H-indazol-3-yl(piperazin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.11676 Da
Monoisotopic Mass: 0.7
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]+	231.12404	152.1
[M+Na]+	253.10598	158.9
[M-H]-	229.10948	151.3
[M+NH4]+	248.15058	165.4
[M+K]+	269.07992	153.3
[M+H-H2O]+	213.11402	142.5
[M+HCOO]-	275.11496	165.8
[M+CH3COO]-	289.13061	161.7
[M+Na-2H]-	251.09143	156.5
[M]+	230.11621	146.0
[M]-	230.11731	146.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.