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

40
Patents

294.13684 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.144116 169.2
[M+Na]+ 317.126058 177.1
[M-H]- 293.129564 175.2
[M+NH4]+ 312.170663 184.6
[M+K]+ 333.099998 171.1
[M+H-H2O]+ 277.134100 160.1
[M+HCOO]- 339.135041 188.3
[M+CH3COO]- 353.150691 180.0
[M+Na-2H]- 315.111506 171.3
[M]+ 294.13629142 167.1
[M]- 294.13738858 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

literature stripe

Patent stripe

patents stripe