PubChemLite - Sebacic acid bis(2-hydroxy-1-naphthylmethylenehydrazide) (C32H34N4O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C(C=CC2=C1)O)/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/C3=C(C=CC4=CC=CC=C34)O

InChI

InChI=1S/C32H34N4O4/c37-29-19-17-23-11-7-9-13-25(23)27(29)21-33-35-31(39)15-5-3-1-2-4-6-16-32(40)36-34-22-28-26-14-10-8-12-24(26)18-20-30(28)38/h7-14,17-22,37-38H,1-6,15-16H2,(H,35,39)(H,36,40)/b33-21+,34-22+

InChIKey

OQWDSDKMVLLJOX-WXGDAXOSSA-N

Compound name

N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]decanediamide

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]+	539.26528	229.6
[M+Na]+	561.24722	231.4
[M-H]-	537.25072	236.1
[M+NH4]+	556.29182	234.7
[M+K]+	577.22116	225.4
[M+H-H2O]+	521.25526	217.4
[M+HCOO]-	583.25620	251.5
[M+CH3COO]-	597.27185	260.5
[M+Na-2H]-	559.23267	233.2
[M]+	538.25745	233.3
[M]-	538.25855	233.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.26528

229.6

[M+Na]+

561.24722

231.4

[M-H]-

537.25072

236.1

[M+NH4]+

556.29182

234.7

[M+K]+

577.22116

225.4

[M+H-H2O]+

521.25526

217.4

[M+HCOO]-

583.25620

251.5

[M+CH3COO]-

597.27185

260.5

[M+Na-2H]-

559.23267

233.2

[M]+

538.25745

233.3

[M]-

538.25855

233.3

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

Sebacic acid bis(2-hydroxy-1-naphthylmethylenehydrazide)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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