CID 202417

Morpholino-thalidomide

Structural Information

Molecular Formula

C₁₈H₁₉N₃O₅

SMILES

C1CC(=O)N(C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CN4CCOCC4

InChI

InChI=1S/C18H19N3O5/c22-15-6-5-14(18(25)20(15)11-19-7-9-26-10-8-19)21-16(23)12-3-1-2-4-13(12)17(21)24/h1-4,14H,5-11H2

InChIKey

IMFASZSXAQHCHV-UHFFFAOYSA-N

Compound name

2-[1-(morpholin-4-ylmethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 357.13248 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	358.139756	183.9
[M+Na]+	380.121698	190.1
[M-H]-	356.125204	190.3
[M+NH4]+	375.166303	193.2
[M+K]+	396.095638	186.5
[M+H-H2O]+	340.129740	173.5
[M+HCOO]-	402.130681	195.0
[M+CH3COO]-	416.146331	192.4
[M+Na-2H]-	378.107146	181.5
[M]+	357.13193142	180.0
[M]-	357.13302858	180.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe