CID 3042271

Urea, 1-(2-(1-benzimidazolyl)ethyl)-

Structural Information

Molecular Formula

C₁₀H₁₂N₄O

SMILES

C1=CC=C2C(=C1)N=CN2CCNC(=O)N

InChI

InChI=1S/C10H12N4O/c11-10(15)12-5-6-14-7-13-8-3-1-2-4-9(8)14/h1-4,7H,5-6H2,(H3,11,12,15)

InChIKey

JWCNGAUOYRXOJO-UHFFFAOYSA-N

Compound name

2-(benzimidazol-1-yl)ethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.1011 Da
Monoisotopic Mass: 0.1
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]+	205.10838	141.9
[M+Na]+	227.09032	150.5
[M-H]-	203.09382	143.9
[M+NH4]+	222.13492	160.4
[M+K]+	243.06426	147.3
[M+H-H2O]+	187.09836	134.1
[M+HCOO]-	249.09930	166.6
[M+CH3COO]-	263.11495	188.5
[M+Na-2H]-	225.07577	149.4
[M]+	204.10055	142.3
[M]-	204.10165	142.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.