CID 40633600

790676-40-3

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CC[C@@]1(C(=O)N(C(=O)N1)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c1-2-18(15-11-7-4-8-12-15)16(21)20(17(22)19-18)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3,(H,19,22)/t18-/m0/s1
InChIKey
ZMZDHUHMXXALFX-SFHVURJKSA-N
Compound name
(5S)-3-benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

39
Patents

294.13684 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 169.2
[M+Na]+ 317.12606 177.1
[M-H]- 293.12956 175.2
[M+NH4]+ 312.17066 184.6
[M+K]+ 333.10000 171.1
[M+H-H2O]+ 277.13410 160.1
[M+HCOO]- 339.13504 188.3
[M+CH3COO]- 353.15069 180.0
[M+Na-2H]- 315.11151 171.3
[M]+ 294.13629 167.1
[M]- 294.13739 167.1
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

No patent data available for this compound.