PubChemLite - 881840-08-0 (C25H20FN5O2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C25H20FN5O2/c1-17-7-13-21(14-8-17)28-24(32)25(33)29-27-15-19-16-31(22-5-3-2-4-6-22)30-23(19)18-9-11-20(26)12-10-18/h2-16H,1H3,(H,28,32)(H,29,33)/b27-15+

InChIKey

RIRKNOTYGFQGRE-JFLMPSFJSA-N

Compound name

N'-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-N-(4-methylphenyl)oxamide

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]+	442.16738	205.2
[M+Na]+	464.14932	210.9
[M-H]-	440.15282	215.9
[M+NH4]+	459.19392	212.4
[M+K]+	480.12326	204.2
[M+H-H2O]+	424.15736	191.8
[M+HCOO]-	486.15830	228.8
[M+CH3COO]-	500.17395	213.6
[M+Na-2H]-	462.13477	206.4
[M]+	441.15955	204.2
[M]-	441.16065	204.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

442.16738

205.2

[M+Na]+

464.14932

210.9

[M-H]-

440.15282

215.9

[M+NH4]+

459.19392

212.4

[M+K]+

480.12326

204.2

[M+H-H2O]+

424.15736

191.8

[M+HCOO]-

486.15830

228.8

[M+CH3COO]-

500.17395

213.6

[M+Na-2H]-

462.13477

206.4

[M]+

441.15955

204.2

[M]-

441.16065

204.2

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

881840-08-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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