PubChemLite - Levanol fast cyanine 5rn (C32H23N5O6S2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC(=CC=C6)S(=O)(=O)O)C=CC=C3S(=O)(=O)O

InChI

InChI=1S/C32H23N5O6S2/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43/h1-20,33H,(H,38,39,40)(H,41,42,43)

InChIKey

DJRZPZBRKRAGBD-UHFFFAOYSA-N

Compound name

8-anilino-5-[[4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid

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]+	638.11623	240.6
[M+Na]+	660.09817	246.2
[M-H]-	636.10167	254.5
[M+NH4]+	655.14277	242.2
[M+K]+	676.07211	240.9
[M+H-H2O]+	620.10621	227.9
[M+HCOO]-	682.10715	257.2
[M+CH3COO]-	696.12280	246.2
[M+Na-2H]-	658.08362	255.4
[M]+	637.10840	246.6
[M]-	637.10950	246.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

638.11623

240.6

[M+Na]+

660.09817

246.2

[M-H]-

636.10167

254.5

[M+NH4]+

655.14277

242.2

[M+K]+

676.07211

240.9

[M+H-H2O]+

620.10621

227.9

[M+HCOO]-

682.10715

257.2

[M+CH3COO]-

696.12280

246.2

[M+Na-2H]-

658.08362

255.4

[M]+

637.10840

246.6

[M]-

637.10950

246.6

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

Levanol fast cyanine 5rn

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe