PubChemLite - 10082-89-0 (C32H38ClNO3)

Structural Information

Molecular Formula

SMILES

CC1(CC(CC(N1C)(C)C)OC(=O)C(CC2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C

InChI

InChI=1S/C32H38ClNO3/c1-31(2)20-28(21-32(3,4)34(31)5)37-30(35)29(25-9-7-6-8-10-25)19-23-13-17-27(18-14-23)36-22-24-11-15-26(33)16-12-24/h6-18,28-29H,19-22H2,1-5H3

InChIKey

OHHBCBUVCJMEJZ-UHFFFAOYSA-N

Compound name

(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-phenylpropanoate

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]+	520.26128	228.8
[M+Na]+	542.24322	233.6
[M-H]-	518.24672	238.7
[M+NH4]+	537.28782	237.5
[M+K]+	558.21716	227.4
[M+H-H2O]+	502.25126	216.6
[M+HCOO]-	564.25220	238.1
[M+CH3COO]-	578.26785	245.1
[M+Na-2H]-	540.22867	225.2
[M]+	519.25345	232.0
[M]-	519.25455	232.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

520.26128

228.8

[M+Na]+

542.24322

233.6

[M-H]-

518.24672

238.7

[M+NH4]+

537.28782

237.5

[M+K]+

558.21716

227.4

[M+H-H2O]+

502.25126

216.6

[M+HCOO]-

564.25220

238.1

[M+CH3COO]-

578.26785

245.1

[M+Na-2H]-

540.22867

225.2

[M]+

519.25345

232.0

[M]-

519.25455

232.0

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

10082-89-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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