CID 11516758

446292-07-5

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 193.3
[M+Na]+ 418.13735 204.2
[M+NH4]+ 413.18195 198.2
[M+K]+ 434.11129 201.0
[M-H]- 394.14085 197.8
[M+Na-2H]- 416.12280 196.9
[M]+ 395.14758 195.7
[M]- 395.14868 195.7
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