CID 2732958

Oprea1_410217

Structural Information

Molecular Formula

C₁₇H₂₀N₂O₂S

SMILES

C1CC2(CC(=O)N(C2=O)CN3CCSCC3)C4=CC=CC=C41

InChI

InChI=1S/C17H20N2O2S/c20-15-11-17(6-5-13-3-1-2-4-14(13)17)16(21)19(15)12-18-7-9-22-10-8-18/h1-4H,5-12H2

InChIKey

FUTKZZHOZLQICB-UHFFFAOYSA-N

Compound name

1'-(thiomorpholin-4-ylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 316.12454 Da
Monoisotopic Mass: 1.6
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]+	317.131816	175.4
[M+Na]+	339.113758	182.8
[M-H]-	315.117264	182.0
[M+NH4]+	334.158363	194.6
[M+K]+	355.087698	178.0
[M+H-H2O]+	299.121800	168.3
[M+HCOO]-	361.122741	186.6
[M+CH3COO]-	375.138391	185.6
[M+Na-2H]-	337.099206	172.7
[M]+	316.12399142	172.6
[M]-	316.12508858	172.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.