477732-67-5 (C24H16Cl2FN5O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=N/NC(=O)C(=O)NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H16Cl2FN5O2/c25-20-11-10-18(12-21(20)26)29-23(33)24(34)30-28-13-16-14-32(19-4-2-1-3-5-19)31-22(16)15-6-8-17(27)9-7-15/h1-14H,(H,29,33)(H,30,34)/b28-13+

InChIKey

YIAKMMSVMHHLDV-XODNFHPESA-N

Compound name

N-(3,4-dichlorophenyl)-N'-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]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]+	496.073776	215.8
[M+Na]+	518.055718	223.9
[M-H]-	494.059224	225.7
[M+NH4]+	513.100323	222.6
[M+K]+	534.029658	215.4
[M+H-H2O]+	478.063760	203.3
[M+HCOO]-	540.064701	230.0
[M+CH3COO]-	554.080351	223.6
[M+Na-2H]-	516.041166	215.3
[M]+	495.06595142	219.3
[M]-	495.06704858	219.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

496.073776

215.8

[M+Na]+

518.055718

223.9

[M-H]-

494.059224

225.7

[M+NH4]+

513.100323

222.6

[M+K]+

534.029658

215.4

[M+H-H2O]+

478.063760

203.3

[M+HCOO]-

540.064701

230.0

[M+CH3COO]-

554.080351

223.6

[M+Na-2H]-

516.041166

215.3

[M]+

495.06595142

219.3

[M]-

495.06704858

219.3

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

477732-67-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe