CID 204606

Benzimidazole, 5-nitro-2-(2-piperidinoethyl)-

Structural Information

Molecular Formula

C₁₄H₁₈N₄O₂

SMILES

C1CCN(CC1)CCC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O2/c19-18(20)11-4-5-12-13(10-11)16-14(15-12)6-9-17-7-2-1-3-8-17/h4-5,10H,1-3,6-9H2,(H,15,16)

InChIKey

KNTFYDCJXLETOG-UHFFFAOYSA-N

Compound name

6-nitro-2-(2-piperidin-1-ylethyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.14297 Da
Monoisotopic Mass: 2.9
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]+	275.150246	161.1
[M+Na]+	297.132188	166.3
[M-H]-	273.135694	163.0
[M+NH4]+	292.176793	174.0
[M+K]+	313.106128	157.3
[M+H-H2O]+	257.140230	156.0
[M+HCOO]-	319.141171	178.7
[M+CH3COO]-	333.156821	189.7
[M+Na-2H]-	295.117636	167.5
[M]+	274.14242142	155.8
[M]-	274.14351858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.