CID 197893

Morpholino-beta-thalidomide

Structural Information

Molecular Formula
C18H19N3O5
SMILES
C1COCCN1CN2C(=O)CC(CC2=O)N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H19N3O5/c22-15-9-12(10-16(23)20(15)11-19-5-7-26-8-6-19)21-17(24)13-3-1-2-4-14(13)18(21)25/h1-4,12H,5-11H2
InChIKey
FDOBAWPDCWCNRJ-UHFFFAOYSA-N
Compound name
2-[1-(morpholin-4-ylmethyl)-2,6-dioxopiperidin-4-yl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

357.13248 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13976 183.9
[M+Na]+ 380.12170 190.1
[M-H]- 356.12520 190.3
[M+NH4]+ 375.16630 193.2
[M+K]+ 396.09564 186.5
[M+H-H2O]+ 340.12974 173.5
[M+HCOO]- 402.13068 195.0
[M+CH3COO]- 416.14633 192.4
[M+Na-2H]- 378.10715 181.5
[M]+ 357.13193 180.0
[M]- 357.13303 180.0
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