PubChemLite - 134069-56-0 (C34H48F2N2O3)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCN1C(=O)OC2(C1(C)O)CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C34H48F2N2O3/c1-3-4-5-6-7-8-9-10-24-38-32(39)41-34(33(38,2)40)21-25-37(26-22-34)23-11-12-31(27-13-17-29(35)18-14-27)28-15-19-30(36)20-16-28/h13-20,31,40H,3-12,21-26H2,1-2H3

InChIKey

JGRBDGLCAYAYCD-UHFFFAOYSA-N

Compound name

8-[4,4-bis(4-fluorophenyl)butyl]-3-decyl-4-hydroxy-4-methyl-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]+	571.37058	245.8
[M+Na]+	593.35252	247.6
[M-H]-	569.35602	249.0
[M+NH4]+	588.39712	250.4
[M+K]+	609.32646	240.6
[M+H-H2O]+	553.36056	231.9
[M+HCOO]-	615.36150	251.8
[M+CH3COO]-	629.37715	253.6
[M+Na-2H]-	591.33797	237.4
[M]+	570.36275	243.9
[M]-	570.36385	243.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

571.37058

245.8

[M+Na]+

593.35252

247.6

[M-H]-

569.35602

249.0

[M+NH4]+

588.39712

250.4

[M+K]+

609.32646

240.6

[M+H-H2O]+

553.36056

231.9

[M+HCOO]-

615.36150

251.8

[M+CH3COO]-

629.37715

253.6

[M+Na-2H]-

591.33797

237.4

[M]+

570.36275

243.9

[M]-

570.36385

243.9

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

134069-56-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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