CID 4161394

1-benzyl 5-tert-butyl 2-oxoimidazolidine-1,5-dicarboxylate

Structural Information

Molecular Formula
C16H20N2O5
SMILES
CC(C)(C)OC(=O)C1CNC(=O)N1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C16H20N2O5/c1-16(2,3)23-13(19)12-9-17-14(20)18(12)15(21)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,20)
InChIKey
BQZKFYBNKNXMIO-UHFFFAOYSA-N
Compound name
1-O-benzyl 5-O-tert-butyl 2-oxoimidazolidine-1,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

320.1372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14448 173.7
[M+Na]+ 343.12642 181.7
[M+NH4]+ 338.17102 177.4
[M+K]+ 359.10036 181.1
[M-H]- 319.12992 172.0
[M+Na-2H]- 341.11187 176.1
[M]+ 320.13665 173.8
[M]- 320.13775 173.8
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