PubChemLite - 2-chloro-n-((1,3-dimethyl-1h-pyrazol-4-yl)sulfonyl)-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1h-pyrazol-1-yl)nicotinamide (C19H20ClF3N6O4S)

Structural Information

Molecular Formula

SMILES

CC1=NN(C=C1S(=O)(=O)NC(=O)C2=C(N=C(C=C2)N3C=CC(=N3)OCC(C)(C)C(F)(F)F)Cl)C

InChI

InChI=1S/C19H20ClF3N6O4S/c1-11-13(9-28(4)25-11)34(31,32)27-17(30)12-5-6-14(24-16(12)20)29-8-7-15(26-29)33-10-18(2,3)19(21,22)23/h5-9H,10H2,1-4H3,(H,27,30)

InChIKey

OWJKWPVXPIFNEU-UHFFFAOYSA-N

Compound name

2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-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]+	521.09804	216.0
[M+Na]+	543.07998	226.9
[M-H]-	519.08348	219.0
[M+NH4]+	538.12458	220.7
[M+K]+	559.05392	221.1
[M+H-H2O]+	503.08802	205.4
[M+HCOO]-	565.08896	220.4
[M+CH3COO]-	579.10461	238.2
[M+Na-2H]-	541.06543	215.4
[M]+	520.09021	222.9
[M]-	520.09131	222.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

521.09804

216.0

[M+Na]+

543.07998

226.9

[M-H]-

519.08348

219.0

[M+NH4]+

538.12458

220.7

[M+K]+

559.05392

221.1

[M+H-H2O]+

503.08802

205.4

[M+HCOO]-

565.08896

220.4

[M+CH3COO]-

579.10461

238.2

[M+Na-2H]-

541.06543

215.4

[M]+

520.09021

222.9

[M]-

520.09131

222.9

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

2-chloro-n-((1,3-dimethyl-1h-pyrazol-4-yl)sulfonyl)-6-(3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1h-pyrazol-1-yl)nicotinamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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