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]+ 296.128126 168.6
[M+Na]+ 318.110068 175.0
[M-H]- 294.113574 177.1
[M+NH4]+ 313.154673 180.5
[M+K]+ 334.084008 171.5
[M+H-H2O]+ 278.118110 158.7
[M+HCOO]- 340.119051 187.4
[M+CH3COO]- 354.134701 201.8
[M+Na-2H]- 316.095516 172.5
[M]+ 295.12030142 167.2
[M]- 295.12139858 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.