PubChemLite - 8-(4,4-bis(4-fluorophenyl)butyl)-4-methylene-3-phenyl-1-oxa-3,8-diazaspiro(4.5)decan-2-one (C30H30F2N2O2)

Structural Information

Molecular Formula

SMILES

C=C1C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC(=O)N1C5=CC=CC=C5

InChI

InChI=1S/C30H30F2N2O2/c1-22-30(36-29(35)34(22)27-6-3-2-4-7-27)17-20-33(21-18-30)19-5-8-28(23-9-13-25(31)14-10-23)24-11-15-26(32)16-12-24/h2-4,6-7,9-16,28H,1,5,8,17-21H2

InChIKey

DXZFOANBRHMEGN-UHFFFAOYSA-N

Compound name

8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

Related CIDs

2D Structure

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]+	489.23482	223.7
[M+Na]+	511.21676	228.4
[M-H]-	487.22026	232.4
[M+NH4]+	506.26136	229.5
[M+K]+	527.19070	220.7
[M+H-H2O]+	471.22480	208.6
[M+HCOO]-	533.22574	233.6
[M+CH3COO]-	547.24139	229.1
[M+Na-2H]-	509.20221	217.5
[M]+	488.22699	217.0
[M]-	488.22809	217.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.23482

223.7

[M+Na]+

511.21676

228.4

[M-H]-

487.22026

232.4

[M+NH4]+

506.26136

229.5

[M+K]+

527.19070

220.7

[M+H-H2O]+

471.22480

208.6

[M+HCOO]-

533.22574

233.6

[M+CH3COO]-

547.24139

229.1

[M+Na-2H]-

509.20221

217.5

[M]+

488.22699

217.0

[M]-

488.22809

217.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

8-(4,4-bis(4-fluorophenyl)butyl)-4-methylene-3-phenyl-1-oxa-3,8-diazaspiro(4.5)decan-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe