CID 3069490

84806-71-3

Structural Information

Molecular Formula

C₁₁H₁₄N₄

SMILES

C1CN(CCN1)C2=CC=CC3=C2N=CN3

InChI

InChI=1S/C11H14N4/c1-2-9-11(14-8-13-9)10(3-1)15-6-4-12-5-7-15/h1-3,8,12H,4-7H2,(H,13,14)

InChIKey

BBOBNVGZTQLKAM-UHFFFAOYSA-N

Compound name

4-piperazin-1-yl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 52
Patents: 202.12184 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]+	203.12912	144.9
[M+Na]+	225.11106	152.4
[M-H]-	201.11456	144.1
[M+NH4]+	220.15566	159.6
[M+K]+	241.08500	146.5
[M+H-H2O]+	185.11910	135.4
[M+HCOO]-	247.12004	159.7
[M+CH3COO]-	261.13569	155.1
[M+Na-2H]-	223.09651	150.9
[M]+	202.12129	138.5
[M]-	202.12239	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe