PubChemLite - 1-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)-2-naphthyl 4-chlorobenzoate (C30H20ClN3O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)C(=O)N/N=C/C3=C(C=CC4=CC=CC=C43)OC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H20ClN3O4/c31-22-15-12-21(13-16-22)30(37)38-27-17-14-20-7-1-3-9-23(20)25(27)18-32-34-29(36)28(35)33-26-11-5-8-19-6-2-4-10-24(19)26/h1-18H,(H,33,35)(H,34,36)/b32-18+

InChIKey

VEHRLMVOPVZHJJ-KCSSXMTESA-N

Compound name

[1-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate

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]+	522.12154	222.4
[M+Na]+	544.10348	228.2
[M-H]-	520.10698	234.2
[M+NH4]+	539.14808	229.5
[M+K]+	560.07742	222.1
[M+H-H2O]+	504.11152	210.7
[M+HCOO]-	566.11246	241.1
[M+CH3COO]-	580.12811	229.9
[M+Na-2H]-	542.08893	227.3
[M]+	521.11371	227.5
[M]-	521.11481	227.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

522.12154

222.4

[M+Na]+

544.10348

228.2

[M-H]-

520.10698

234.2

[M+NH4]+

539.14808

229.5

[M+K]+

560.07742

222.1

[M+H-H2O]+

504.11152

210.7

[M+HCOO]-

566.11246

241.1

[M+CH3COO]-

580.12811

229.9

[M+Na-2H]-

542.08893

227.3

[M]+

521.11371

227.5

[M]-

521.11481

227.5

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

1-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)-2-naphthyl 4-chlorobenzoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe