CID 688129

4-imidazolidinone, 1-benzoyl-2-(1,1-dimethylethyl)-3-methyl-, (2r)-

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CC(C)(C)[C@@H]1N(C(=O)CN1C(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C15H20N2O2/c1-15(2,3)14-16(4)12(18)10-17(14)13(19)11-8-6-5-7-9-11/h5-9,14H,10H2,1-4H3/t14-/m1/s1
InChIKey
QMSFVKQUCYMTLD-CQSZACIVSA-N
Compound name
(2R)-1-benzoyl-2-tert-butyl-3-methylimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

260.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.159746 161.7
[M+Na]+ 283.141688 169.3
[M-H]- 259.145194 166.0
[M+NH4]+ 278.186293 178.0
[M+K]+ 299.115628 166.5
[M+H-H2O]+ 243.149730 154.4
[M+HCOO]- 305.150671 179.3
[M+CH3COO]- 319.166321 196.7
[M+Na-2H]- 281.127136 162.4
[M]+ 260.15192142 161.5
[M]- 260.15301858 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe