PubChemLite - Einecs 264-530-6 (C32H45N5O7S2)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCOC1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)NCC)S(=O)(=O)NCC)NC(=O)C)O

InChI

InChI=1S/C32H45N5O7S2/c1-5-8-9-10-11-12-13-14-19-44-26-17-15-25(16-18-26)36-37-31-29(46(42,43)34-7-3)21-24-20-27(45(40,41)33-6-2)22-28(35-23(4)38)30(24)32(31)39/h15-18,20-22,33-34,39H,5-14,19H2,1-4H3,(H,35,38)

InChIKey

NHGVHUVNLBETNN-UHFFFAOYSA-N

Compound name

N-[7-[(4-decoxyphenyl)diazenyl]-3,6-bis(ethylsulfamoyl)-8-hydroxynaphthalen-1-yl]acetamide

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]+	676.28334	255.4
[M+Na]+	698.26528	254.3
[M-H]-	674.26878	259.8
[M+NH4]+	693.30988	254.7
[M+K]+	714.23922	249.2
[M+H-H2O]+	658.27332	243.6
[M+HCOO]-	720.27426	266.2
[M+CH3COO]-	734.28991	285.3
[M+Na-2H]-	696.25073	260.3
[M]+	675.27551	265.2
[M]-	675.27661	265.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

676.28334

255.4

[M+Na]+

698.26528

254.3

[M-H]-

674.26878

259.8

[M+NH4]+

693.30988

254.7

[M+K]+

714.23922

249.2

[M+H-H2O]+

658.27332

243.6

[M+HCOO]-

720.27426

266.2

[M+CH3COO]-

734.28991

285.3

[M+Na-2H]-

696.25073

260.3

[M]+

675.27551

265.2

[M]-

675.27661

265.2

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

Einecs 264-530-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe