PubChemLite - Jnj-41443532 (C22H25F3N4O3S)

Structural Information

Molecular Formula

SMILES

C1CC(CCC1N2CC(C2)NC(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F)(C4=CN=CS4)O

InChI

InChI=1S/C22H25F3N4O3S/c23-22(24,25)15-3-1-2-14(8-15)20(31)27-10-19(30)28-16-11-29(12-16)17-4-6-21(32,7-5-17)18-9-26-13-33-18/h1-3,8-9,13,16-17,32H,4-7,10-12H2,(H,27,31)(H,28,30)

InChIKey

CFKBNYUHQSQBSX-UHFFFAOYSA-N

Compound name

N-[2-[[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

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]+	483.16722	209.8
[M+Na]+	505.14916	209.6
[M+NH4]+	500.19376	209.7
[M+K]+	521.12310	206.0
[M-H]-	481.15266	206.3
[M+Na-2H]-	503.13461	211.2
[M]+	482.15939	207.5
[M]-	482.16049	207.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.16722

209.8

[M+Na]+

505.14916

209.6

[M+NH4]+

500.19376

209.7

[M+K]+

521.12310

206.0

[M-H]-

481.15266

206.3

[M+Na-2H]-

503.13461

211.2

[M]+

482.15939

207.5

[M]-

482.16049

207.5

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

Jnj-41443532

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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