4-(2-((decanoylamino)ac)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate (C28H35Cl2N3O5)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC(=O)NCC(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)C2=C(C=C(C=C2)Cl)Cl)OCC

InChI

InChI=1S/C28H35Cl2N3O5/c1-3-5-6-7-8-9-10-11-26(34)31-19-27(35)33-32-18-20-12-15-24(25(16-20)37-4-2)38-28(36)22-14-13-21(29)17-23(22)30/h12-18H,3-11,19H2,1-2H3,(H,31,34)(H,33,35)/b32-18+

InChIKey

GYOBLSPPJQSSNH-KCSSXMTESA-N

Compound name

[4-[(E)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 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]+	564.202676	237.6
[M+Na]+	586.184618	240.5
[M-H]-	562.188124	243.5
[M+NH4]+	581.229223	243.2
[M+K]+	602.158558	234.6
[M+H-H2O]+	546.192660	228.4
[M+HCOO]-	608.193601	251.2
[M+CH3COO]-	622.209251	259.7
[M+Na-2H]-	584.170066	233.1
[M]+	563.19485142	248.9
[M]-	563.19594858	248.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

564.202676

237.6

[M+Na]+

586.184618

240.5

[M-H]-

562.188124

243.5

[M+NH4]+

581.229223

243.2

[M+K]+

602.158558

234.6

[M+H-H2O]+

546.192660

228.4

[M+HCOO]-

608.193601

251.2

[M+CH3COO]-

622.209251

259.7

[M+Na-2H]-

584.170066

233.1

[M]+

563.19485142

248.9

[M]-

563.19594858

248.9

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

4-(2-((decanoylamino)ac)carbohydrazonoyl)-2-ethoxyphenyl 2,4-dichlorobenzoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe