PubChemLite - 28028-08-2 (C30H33F3N2O)

Structural Information

Molecular Formula

SMILES

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)CCCN4CCC(CC4)(C5=CC(=CC=C5)C(F)(F)F)O)C

InChI

InChI=1S/C30H33F3N2O/c1-28(2)24-11-3-5-13-26(24)35(27-14-6-4-12-25(27)28)18-8-17-34-19-15-29(36,16-20-34)22-9-7-10-23(21-22)30(31,32)33/h3-7,9-14,21,36H,8,15-20H2,1-2H3

InChIKey

UKDMXLWNABIDFH-UHFFFAOYSA-N

Compound name

1-[3-(9,9-dimethylacridin-10-yl)propyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

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]+	495.26178	229.1
[M+Na]+	517.24372	235.3
[M-H]-	493.24722	230.9
[M+NH4]+	512.28832	237.9
[M+K]+	533.21766	225.9
[M+H-H2O]+	477.25176	212.6
[M+HCOO]-	539.25270	233.5
[M+CH3COO]-	553.26835	233.1
[M+Na-2H]-	515.22917	229.1
[M]+	494.25395	221.7
[M]-	494.25505	221.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

495.26178

229.1

[M+Na]+

517.24372

235.3

[M-H]-

493.24722

230.9

[M+NH4]+

512.28832

237.9

[M+K]+

533.21766

225.9

[M+H-H2O]+

477.25176

212.6

[M+HCOO]-

539.25270

233.5

[M+CH3COO]-

553.26835

233.1

[M+Na-2H]-

515.22917

229.1

[M]+

494.25395

221.7

[M]-

494.25505

221.7

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

28028-08-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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