PubChemLite - Parimifasor (C18H11Cl2F4N5O)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC(=C1)Cl)C(=O)NC(=NC2=NNC(=C2)C(F)(F)F)NC3=CC(=CC(=C3)Cl)F

InChI

InChI=1S/C18H11Cl2F4N5O/c19-10-3-1-2-9(4-10)16(30)27-17(25-13-6-11(20)5-12(21)7-13)26-15-8-14(28-29-15)18(22,23)24/h1-8H,(H3,25,26,27,28,29,30)

InChIKey

GPLAWHGEODGIAW-UHFFFAOYSA-N

Compound name

3-chloro-N-[N-(3-chloro-5-fluorophenyl)-N'-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]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]+	460.03496	197.8
[M+Na]+	482.01690	206.7
[M-H]-	458.02040	200.1
[M+NH4]+	477.06150	206.1
[M+K]+	497.99084	197.8
[M+H-H2O]+	442.02494	185.4
[M+HCOO]-	504.02588	206.7
[M+CH3COO]-	518.04153	232.1
[M+Na-2H]-	480.00235	197.8
[M]+	459.02713	195.2
[M]-	459.02823	195.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

460.03496

197.8

[M+Na]+

482.01690

206.7

[M-H]-

458.02040

200.1

[M+NH4]+

477.06150

206.1

[M+K]+

497.99084

197.8

[M+H-H2O]+

442.02494

185.4

[M+HCOO]-

504.02588

206.7

[M+CH3COO]-

518.04153

232.1

[M+Na-2H]-

480.00235

197.8

[M]+

459.02713

195.2

[M]-

459.02823

195.2

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

Parimifasor

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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