CID 18414103

1365044-91-2

Structural Information

Molecular Formula

C₁₁H₁₄N₄O

SMILES

C1CN(CCN1)C2=CC=CC3=C2NC(=O)N3

InChI

InChI=1S/C11H14N4O/c16-11-13-8-2-1-3-9(10(8)14-11)15-6-4-12-5-7-15/h1-3,12H,4-7H2,(H2,13,14,16)

InChIKey

ULNBYXZTXGEMJE-UHFFFAOYSA-N

Compound name

4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 218.11676 Da
Monoisotopic Mass: 0.0
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]+	219.124036	148.8
[M+Na]+	241.105978	156.9
[M-H]-	217.109484	147.1
[M+NH4]+	236.150583	162.4
[M+K]+	257.079918	150.1
[M+H-H2O]+	201.114020	139.9
[M+HCOO]-	263.114961	162.4
[M+CH3COO]-	277.130611	158.6
[M+Na-2H]-	239.091426	153.6
[M]+	218.11621142	141.7
[M]-	218.11730858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe