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

13
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 174.3
[M+Na]+ 343.12642 179.7
[M-H]- 319.12992 176.9
[M+NH4]+ 338.17102 186.8
[M+K]+ 359.10036 177.6
[M+H-H2O]+ 303.13446 166.6
[M+HCOO]- 365.13540 189.9
[M+CH3COO]- 379.15105 201.2
[M+Na-2H]- 341.11187 174.1
[M]+ 320.13665 175.0
[M]- 320.13775 175.0
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