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

4
Patents

246.10045 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 169.8
[M+Na]+ 269.08967 181.1
[M-H]- 245.09317 179.2
[M+NH4]+ 264.13427 174.3
[M+K]+ 285.06361 178.8
[M+H-H2O]+ 229.09771 162.3
[M+HCOO]- 291.09865 187.9
[M+CH3COO]- 305.11430 180.0
[M+Na-2H]- 267.07512 173.1
[M]+ 246.09990 178.5
[M]- 246.10100 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe