PubChemLite - Jnj-49095397 (C34H36N6O4)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCC5=CC(=NC=C5)NC(=O)COC

InChI

InChI=1S/C34H36N6O4/c1-22-10-12-24(13-11-22)40-31(19-29(39-40)34(2,3)4)38-33(42)36-27-14-15-28(26-9-7-6-8-25(26)27)44-20-23-16-17-35-30(18-23)37-32(41)21-43-5/h6-19H,20-21H2,1-5H3,(H,35,37,41)(H2,36,38,42)

InChIKey

RTDCVLCTBQDLBW-UHFFFAOYSA-N

Compound name

N-[4-[[4-[[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]pyridin-2-yl]-2-methoxyacetamide

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]+	593.28708	247.4
[M+Na]+	615.26902	260.3
[M+NH4]+	610.31362	250.5
[M+K]+	631.24296	255.1
[M-H]-	591.27252	254.4
[M+Na-2H]-	613.25447	256.0
[M]+	592.27925	251.1
[M]-	592.28035	251.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

593.28708

247.4

[M+Na]+

615.26902

260.3

[M+NH4]+

610.31362

250.5

[M+K]+

631.24296

255.1

[M-H]-

591.27252

254.4

[M+Na-2H]-

613.25447

256.0

[M]+

592.27925

251.1

[M]-

592.28035

251.1

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

Jnj-49095397

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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