PubChemLite - 1-oxa-3,8-diazaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-4-methylene-3-(1-naphthalenyl)- (C34H32F2N2O2)

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=CC6=CC=CC=C65

InChI

InChI=1S/C34H32F2N2O2/c1-24-34(40-33(39)38(24)32-10-4-7-25-6-2-3-8-31(25)32)19-22-37(23-20-34)21-5-9-30(26-11-15-28(35)16-12-26)27-13-17-29(36)18-14-27/h2-4,6-8,10-18,30H,1,5,9,19-23H2

InChIKey

GEVQGWNIMSGWSR-UHFFFAOYSA-N

Compound name

8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-3-naphthalen-1-yl-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]+	539.25044	238.4
[M+Na]+	561.23238	243.3
[M-H]-	537.23588	247.6
[M+NH4]+	556.27698	242.9
[M+K]+	577.20632	234.3
[M+H-H2O]+	521.24042	221.8
[M+HCOO]-	583.24136	246.2
[M+CH3COO]-	597.25701	242.6
[M+Na-2H]-	559.21783	231.6
[M]+	538.24261	231.7
[M]-	538.24371	231.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.25044

238.4

[M+Na]+

561.23238

243.3

[M-H]-

537.23588

247.6

[M+NH4]+

556.27698

242.9

[M+K]+

577.20632

234.3

[M+H-H2O]+

521.24042

221.8

[M+HCOO]-

583.24136

246.2

[M+CH3COO]-

597.25701

242.6

[M+Na-2H]-

559.21783

231.6

[M]+

538.24261

231.7

[M]-

538.24371

231.7

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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