PubChemLite - 477732-24-4 (C24H18Cl2FN3O5)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=C(C=C2)F)OC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H18Cl2FN3O5/c1-2-34-21-11-14(3-10-20(21)35-24(33)18-9-4-15(25)12-19(18)26)13-28-30-23(32)22(31)29-17-7-5-16(27)6-8-17/h3-13H,2H2,1H3,(H,29,31)(H,30,32)/b28-13+

InChIKey

NTYHBZDQNHALFI-XODNFHPESA-N

Compound name

[2-ethoxy-4-[(E)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

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]+	518.06798	217.9
[M+Na]+	540.04992	224.7
[M-H]-	516.05342	227.1
[M+NH4]+	535.09452	225.0
[M+K]+	556.02386	219.3
[M+H-H2O]+	500.05796	207.8
[M+HCOO]-	562.05890	233.0
[M+CH3COO]-	576.07455	247.9
[M+Na-2H]-	538.03537	216.7
[M]+	517.06015	225.1
[M]-	517.06125	225.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

518.06798

217.9

[M+Na]+

540.04992

224.7

[M-H]-

516.05342

227.1

[M+NH4]+

535.09452

225.0

[M+K]+

556.02386

219.3

[M+H-H2O]+

500.05796

207.8

[M+HCOO]-

562.05890

233.0

[M+CH3COO]-

576.07455

247.9

[M+Na-2H]-

538.03537

216.7

[M]+

517.06015

225.1

[M]-

517.06125

225.1

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

477732-24-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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