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]+ 321.144476 174.3
[M+Na]+ 343.126418 179.7
[M-H]- 319.129924 176.9
[M+NH4]+ 338.171023 186.8
[M+K]+ 359.100358 177.6
[M+H-H2O]+ 303.134460 166.6
[M+HCOO]- 365.135401 189.9
[M+CH3COO]- 379.151051 201.2
[M+Na-2H]- 341.111866 174.1
[M]+ 320.13665142 175.0
[M]- 320.13774858 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