PubChemLite - Sch 350581 (C28H37F3N4O)

Structural Information

Molecular Formula

SMILES

CC1CN(CCN1C(C)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(C=CN=C4C)C)C

InChI

InChI=1S/C28H37F3N4O/c1-19-10-13-32-21(3)25(19)26(36)33-14-11-27(5,12-15-33)34-16-17-35(20(2)18-34)22(4)23-6-8-24(9-7-23)28(29,30)31/h6-10,13,20,22H,11-12,14-18H2,1-5H3

InChIKey

DTKUANPECHGGBY-UHFFFAOYSA-N

Compound name

(2,4-dimethylpyridin-3-yl)-[4-methyl-4-[3-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone

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]+	503.29921	225.4
[M+Na]+	525.28115	234.3
[M+NH4]+	520.32575	229.2
[M+K]+	541.25509	226.5
[M-H]-	501.28465	225.5
[M+Na-2H]-	523.26660	229.9
[M]+	502.29138	226.5
[M]-	502.29248	226.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.29921

225.4

[M+Na]+

525.28115

234.3

[M+NH4]+

520.32575

229.2

[M+K]+

541.25509

226.5

[M-H]-

501.28465

225.5

[M+Na-2H]-

523.26660

229.9

[M]+

502.29138

226.5

[M]-

502.29248

226.5

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

Sch 350581

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe