CID 208994

Brn 1591727

Structural Information

Molecular Formula
C18H16ClNO3
SMILES
C1C(N(C(=O)C(=O)O1)CC2=CC=C(C=C2)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C18H16ClNO3/c19-15-8-6-14(7-9-15)11-20-16(12-23-18(22)17(20)21)10-13-4-2-1-3-5-13/h1-9,16H,10-12H2
InChIKey
HDZYVCIMDBNZEI-UHFFFAOYSA-N
Compound name
5-benzyl-4-[(4-chlorophenyl)methyl]morpholine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.08188 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08916 175.8
[M+Na]+ 352.07110 183.9
[M-H]- 328.07460 184.4
[M+NH4]+ 347.11570 187.6
[M+K]+ 368.04504 178.9
[M+H-H2O]+ 312.07914 166.5
[M+HCOO]- 374.08008 189.9
[M+CH3COO]- 388.09573 206.7
[M+Na-2H]- 350.05655 178.4
[M]+ 329.08133 177.1
[M]- 329.08243 177.1
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.