CID 3059305

76311-52-9

Structural Information

Molecular Formula

C₁₈H₂₃FN₂O₂

SMILES

CN(C)CCCN1C(=O)CC2(C1=O)CCCC3=C2C=C(C=C3)F

InChI

InChI=1S/C18H23FN2O2/c1-20(2)9-4-10-21-16(22)12-18(17(21)23)8-3-5-13-6-7-14(19)11-15(13)18/h6-7,11H,3-5,8-10,12H2,1-2H3

InChIKey

ZMMGPESHEIPRKH-UHFFFAOYSA-N

Compound name

1'-[3-(dimethylamino)propyl]-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 318.17435 Da
Monoisotopic Mass: 2.1
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]+	319.181626	174.6
[M+Na]+	341.163568	181.7
[M-H]-	317.167074	179.3
[M+NH4]+	336.208173	193.4
[M+K]+	357.137508	177.6
[M+H-H2O]+	301.171610	166.0
[M+HCOO]-	363.172551	192.2
[M+CH3COO]-	377.188201	213.4
[M+Na-2H]-	339.149016	175.0
[M]+	318.17380142	172.8
[M]-	318.17489858	172.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.