CID 11690317

2-[[(5s)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1h-isoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C22H19N3O6
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CN4C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C22H19N3O6/c26-19-13-30-10-9-23(19)14-5-7-15(8-6-14)24-11-16(31-22(24)29)12-25-20(27)17-3-1-2-4-18(17)21(25)28/h1-8,16H,9-13H2/t16-/m1/s1
InChIKey
KUQNYAUTIWQAKY-MRXNPFEDSA-N
Compound name
2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

421.12738 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.13466 197.6
[M+Na]+ 444.11660 204.7
[M-H]- 420.12010 208.8
[M+NH4]+ 439.16120 204.4
[M+K]+ 460.09054 201.8
[M+H-H2O]+ 404.12464 187.9
[M+HCOO]- 466.12558 210.1
[M+CH3COO]- 480.14123 206.4
[M+Na-2H]- 442.10205 192.8
[M]+ 421.12683 197.1
[M]- 421.12793 197.1
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