PubChemLite - Jnj-61803534 (C23H23Cl2F6N3O4S)

Structural Information

Molecular Formula

SMILES

C[C@@H]1CCCN1C(=O)C2=C(SC(=N2)C(=O)NCC(C)(C)O)C3=C(C(=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)Cl)Cl

InChI

InChI=1S/C23H23Cl2F6N3O4S/c1-10-5-4-8-34(10)19(36)15-16(39-18(33-15)17(35)32-9-20(2,3)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,4-5,8-9H2,1-3H3,(H,32,35)/t10-/m1/s1

InChIKey

ZQHVEGQHOKDZEN-SNVBAGLBSA-N

Compound name

5-[2,3-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

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]+	622.07631	226.2
[M+Na]+	644.05825	226.4
[M+NH4]+	639.10285	224.6
[M+K]+	660.03219	226.1
[M-H]-	620.06175	218.3
[M+Na-2H]-	642.04370	223.1
[M]+	621.06848	223.9
[M]-	621.06958	223.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

622.07631

226.2

[M+Na]+

644.05825

226.4

[M+NH4]+

639.10285

224.6

[M+K]+

660.03219

226.1

[M-H]-

620.06175

218.3

[M+Na-2H]-

642.04370

223.1

[M]+

621.06848

223.9

[M]-

621.06958

223.9

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

Jnj-61803534

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe