CID 10616831

1h-furo[3,4-d]imidazole-2,4,6(3h)-trione, dihydro-1,3-bis(phenylmethyl)-, (3ar,6as)-rel-

Structural Information

Molecular Formula
C19H16N2O4
SMILES
C1=CC=C(C=C1)CN2[C@@H]3[C@@H](C(=O)OC3=O)N(C2=O)CC4=CC=CC=C4
InChI
InChI=1S/C19H16N2O4/c22-17-15-16(18(23)25-17)21(12-14-9-5-2-6-10-14)19(24)20(15)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+
InChIKey
WIVKAHXCBJSNDF-IYBDPMFKSA-N
Compound name
(3aS,6aR)-1,3-dibenzyl-3a,6a-dihydrofuro[3,4-d]imidazole-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

336.111 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11828 177.0
[M+Na]+ 359.10022 185.8
[M-H]- 335.10372 186.3
[M+NH4]+ 354.14482 190.9
[M+K]+ 375.07416 181.8
[M+H-H2O]+ 319.10826 168.7
[M+HCOO]- 381.10920 195.7
[M+CH3COO]- 395.12485 188.4
[M+Na-2H]- 357.08567 176.0
[M]+ 336.11045 178.5
[M]- 336.11155 178.5
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