CID 3059307

76311-53-0

Structural Information

Molecular Formula

C₂₀H₂₇FN₂O₂

SMILES

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

InChI

InChI=1S/C20H27FN2O2/c1-3-22(4-2)11-6-12-23-18(24)14-20(19(23)25)10-5-7-15-8-9-16(21)13-17(15)20/h8-9,13H,3-7,10-12,14H2,1-2H3

InChIKey

BUNFOSDSOSYVIU-UHFFFAOYSA-N

Compound name

1'-[3-(diethylamino)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: 346.20566 Da
Monoisotopic Mass: 2.8
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]+	347.212936	183.7
[M+Na]+	369.194878	189.9
[M-H]-	345.198384	188.0
[M+NH4]+	364.239483	201.3
[M+K]+	385.168818	185.3
[M+H-H2O]+	329.202920	174.7
[M+HCOO]-	391.203861	200.5
[M+CH3COO]-	405.219511	219.4
[M+Na-2H]-	367.180326	183.0
[M]+	346.20511142	182.5
[M]-	346.20620858	182.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.