CID 119819

(3as,6ar)-1,3-dibenzyltetrahydro-1h-furo[3,4-d]imidazole-2,4-dione

Structural Information

Molecular Formula
C19H18N2O3
SMILES
C1[C@H]2[C@@H](C(=O)O1)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C19H18N2O3/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17-/m0/s1
InChIKey
FGFSEMWCZBVRHG-IRXDYDNUSA-N
Compound name
(3aS,6aR)-1,3-dibenzyl-6,6a-dihydro-3aH-furo[3,4-d]imidazole-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

322.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.139016 174.9
[M+Na]+ 345.120958 182.8
[M-H]- 321.124464 183.8
[M+NH4]+ 340.165563 189.3
[M+K]+ 361.094898 178.7
[M+H-H2O]+ 305.129000 166.3
[M+HCOO]- 367.129941 193.4
[M+CH3COO]- 381.145591 186.0
[M+Na-2H]- 343.106406 174.4
[M]+ 322.13119142 175.2
[M]- 322.13228858 175.2
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