PubChemLite - 134070-16-9 (C34H34F2N2O3)

Structural Information

Molecular Formula

SMILES

CC1(C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC(=O)N1C5=CC=CC6=CC=CC=C65)O

InChI

InChI=1S/C34H34F2N2O3/c1-33(40)34(41-32(39)38(33)31-10-4-7-24-6-2-3-8-30(24)31)19-22-37(23-20-34)21-5-9-29(25-11-15-27(35)16-12-25)26-13-17-28(36)18-14-26/h2-4,6-8,10-18,29,40H,5,9,19-23H2,1H3

InChIKey

ZXDZJRRZWWFAHI-UHFFFAOYSA-N

Compound name

8-[4,4-bis(4-fluorophenyl)butyl]-4-hydroxy-4-methyl-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]+	557.26098	240.6
[M+Na]+	579.24292	245.8
[M-H]-	555.24642	248.9
[M+NH4]+	574.28752	245.8
[M+K]+	595.21686	238.1
[M+H-H2O]+	539.25096	224.1
[M+HCOO]-	601.25190	247.0
[M+CH3COO]-	615.26755	244.5
[M+Na-2H]-	577.22837	235.0
[M]+	556.25315	234.9
[M]-	556.25425	234.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

557.26098

240.6

[M+Na]+

579.24292

245.8

[M-H]-

555.24642

248.9

[M+NH4]+

574.28752

245.8

[M+K]+

595.21686

238.1

[M+H-H2O]+

539.25096

224.1

[M+HCOO]-

601.25190

247.0

[M+CH3COO]-

615.26755

244.5

[M+Na-2H]-

577.22837

235.0

[M]+

556.25315

234.9

[M]-

556.25425

234.9

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

134070-16-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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