CID 11516758

2-[(2r)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1h-isoindole-1,3(2h)-dione

Structural Information

Molecular Formula
C21H21N3O5
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)NC[C@H](CN3C(=O)C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C21H21N3O5/c25-16(12-24-20(27)17-3-1-2-4-18(17)21(24)28)11-22-14-5-7-15(8-6-14)23-9-10-29-13-19(23)26/h1-8,16,22,25H,9-13H2/t16-/m1/s1
InChIKey
CKFVSMPWXAASIQ-MRXNPFEDSA-N
Compound name
2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

395.14813 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.15541 191.9
[M+Na]+ 418.13735 196.8
[M-H]- 394.14085 198.7
[M+NH4]+ 413.18195 199.9
[M+K]+ 434.11129 192.9
[M+H-H2O]+ 378.14539 181.8
[M+HCOO]- 440.14633 206.1
[M+CH3COO]- 454.16198 221.9
[M+Na-2H]- 416.12280 191.3
[M]+ 395.14758 190.1
[M]- 395.14868 190.1
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