CID 3016121

39936-67-9

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₃

SMILES

C1=CC=C2C(=C1)N(C(=O)N2CCO)CCO

InChI

InChI=1S/C11H14N2O3/c14-7-5-12-9-3-1-2-4-10(9)13(6-8-15)11(12)16/h1-4,14-15H,5-8H2

InChIKey

UARFFANGBYNLQT-UHFFFAOYSA-N

Compound name

1,3-bis(2-hydroxyethyl)benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 204
Patents: 222.10045 Da
Monoisotopic Mass: -0.4
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]+	223.107726	146.5
[M+Na]+	245.089668	157.4
[M-H]-	221.093174	146.7
[M+NH4]+	240.134273	164.3
[M+K]+	261.063608	153.1
[M+H-H2O]+	205.097710	139.9
[M+HCOO]-	267.098651	167.6
[M+CH3COO]-	281.114301	183.6
[M+Na-2H]-	243.075116	152.1
[M]+	222.09990142	150.2
[M]-	222.10099858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe