CID 206223

1,3-diglycidylbenzimidazolone

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₃

SMILES

C1C(O1)CN2C3=CC=CC=C3N(C2=O)CC4CO4

InChI

InChI=1S/C13H14N2O3/c16-13-14(5-9-7-17-9)11-3-1-2-4-12(11)15(13)6-10-8-18-10/h1-4,9-10H,5-8H2

InChIKey

PDTLOYCCOLRFRJ-UHFFFAOYSA-N

Compound name

1,3-bis(oxiran-2-ylmethyl)benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 246.10045 Da
Monoisotopic Mass: 0.3
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]+	247.107726	169.8
[M+Na]+	269.089668	181.1
[M-H]-	245.093174	179.2
[M+NH4]+	264.134273	174.3
[M+K]+	285.063608	178.8
[M+H-H2O]+	229.097710	162.3
[M+HCOO]-	291.098651	187.9
[M+CH3COO]-	305.114301	180.0
[M+Na-2H]-	267.075116	173.1
[M]+	246.09990142	178.5
[M]-	246.10099858	178.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe