765281-83-2 (C26H18FN3O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H18FN3O4/c27-22-10-4-3-9-21(22)26(33)34-19-14-12-17(13-15-19)16-28-30-25(32)24(31)29-23-11-5-7-18-6-1-2-8-20(18)23/h1-16H,(H,29,31)(H,30,32)/b28-16+

InChIKey

GAYBVCROXXGKGJ-LQKURTRISA-N

Compound name

[4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate

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]+	456.135416	206.6
[M+Na]+	478.117358	210.6
[M-H]-	454.120864	216.3
[M+NH4]+	473.161963	214.4
[M+K]+	494.091298	206.0
[M+H-H2O]+	438.125400	193.9
[M+HCOO]-	500.126341	229.3
[M+CH3COO]-	514.141991	240.2
[M+Na-2H]-	476.102806	209.9
[M]+	455.12759142	206.1
[M]-	455.12868858	206.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

456.135416

206.6

[M+Na]+

478.117358

210.6

[M-H]-

454.120864

216.3

[M+NH4]+

473.161963

214.4

[M+K]+

494.091298

206.0

[M+H-H2O]+

438.125400

193.9

[M+HCOO]-

500.126341

229.3

[M+CH3COO]-

514.141991

240.2

[M+Na-2H]-

476.102806

209.9

[M]+

455.12759142

206.1

[M]-

455.12868858

206.1

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

765281-83-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe