CID 205355

4,5-dibenzylmorpholine-2,3-dione

Structural Information

Molecular Formula
C18H17NO3
SMILES
C1C(N(C(=O)C(=O)O1)CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H17NO3/c20-17-18(21)22-13-16(11-14-7-3-1-4-8-14)19(17)12-15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKey
CBZNWTOOCIATHO-UHFFFAOYSA-N
Compound name
4,5-dibenzylmorpholine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 168.6
[M+Na]+ 318.11007 175.0
[M-H]- 294.11357 177.1
[M+NH4]+ 313.15467 180.5
[M+K]+ 334.08401 171.5
[M+H-H2O]+ 278.11811 158.7
[M+HCOO]- 340.11905 187.4
[M+CH3COO]- 354.13470 201.8
[M+Na-2H]- 316.09552 172.5
[M]+ 295.12030 167.2
[M]- 295.12140 167.2
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.