PubChemLite - Tdn345 (C28H34F2N2O2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)N1C(=C)C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC1=O

InChI

InChI=1S/C28H34F2N2O2/c1-20-28(34-26(33)32(20)27(2,3)4)15-18-31(19-16-28)17-5-6-25(21-7-11-23(29)12-8-21)22-9-13-24(30)14-10-22/h7-14,25H,1,5-6,15-19H2,2-4H3

InChIKey

OFRYIDMZALXALS-UHFFFAOYSA-N

Compound name

8-[4,4-bis(4-fluorophenyl)butyl]-3-tert-butyl-4-methylidene-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]+	469.26610	218.6
[M+Na]+	491.24804	223.5
[M-H]-	467.25154	224.6
[M+NH4]+	486.29264	226.4
[M+K]+	507.22198	217.4
[M+H-H2O]+	451.25608	206.2
[M+HCOO]-	513.25702	226.7
[M+CH3COO]-	527.27267	236.6
[M+Na-2H]-	489.23349	213.3
[M]+	468.25827	213.6
[M]-	468.25937	213.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.26610

218.6

[M+Na]+

491.24804

223.5

[M-H]-

467.25154

224.6

[M+NH4]+

486.29264

226.4

[M+K]+

507.22198

217.4

[M+H-H2O]+

451.25608

206.2

[M+HCOO]-

513.25702

226.7

[M+CH3COO]-

527.27267

236.6

[M+Na-2H]-

489.23349

213.3

[M]+

468.25827

213.6

[M]-

468.25937

213.6

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

Tdn345

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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