CID 5303272

878432-74-7

Structural Information

Molecular Formula

C₁₄H₂₀N₄O

SMILES

CN1C2=C(C=C(C(=C2)N)N3CCCCC3)N(C1=O)C

InChI

InChI=1S/C14H20N4O/c1-16-12-8-10(15)11(18-6-4-3-5-7-18)9-13(12)17(2)14(16)19/h8-9H,3-7,15H2,1-2H3

InChIKey

ZOMSUTGXSSYGLG-UHFFFAOYSA-N

Compound name

5-amino-1,3-dimethyl-6-piperidin-1-ylbenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 260.1637 Da
Monoisotopic Mass: 1.2
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]+	261.17098	161.6
[M+Na]+	283.15292	171.6
[M-H]-	259.15642	165.6
[M+NH4]+	278.19752	177.4
[M+K]+	299.12686	166.4
[M+H-H2O]+	243.16096	152.7
[M+HCOO]-	305.16190	180.4
[M+CH3COO]-	319.17755	173.2
[M+Na-2H]-	281.13837	163.6
[M]+	260.16315	160.0
[M]-	260.16425	160.0

Literature stripe

literature stripe

Patent stripe

patents stripe