PubChemLite - 5(6)-iodoacetamidotetramethylrhodamine (C26H24IN3O4)

Structural Information

Molecular Formula

SMILES

CN(C)C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)NC(=O)CI)C(=O)O3)C5=C(O2)C=C(C=C5)N(C)C

InChI

InChI=1S/C26H24IN3O4/c1-29(2)16-6-9-20-22(12-16)33-23-13-17(30(3)4)7-10-21(23)26(20)19-8-5-15(28-24(31)14-27)11-18(19)25(32)34-26/h5-13H,14H2,1-4H3,(H,28,31)

InChIKey

HENCSKZMSUJDLA-UHFFFAOYSA-N

Compound name

N-[3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl]-2-iodoacetamide

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]+	570.08848	218.2
[M+Na]+	592.07042	218.2
[M-H]-	568.07392	222.3
[M+NH4]+	587.11502	226.4
[M+K]+	608.04436	223.1
[M+H-H2O]+	552.07846	205.2
[M+HCOO]-	614.07940	231.4
[M+CH3COO]-	628.09505	223.1
[M+Na-2H]-	590.05587	210.2
[M]+	569.08065	220.5
[M]-	569.08175	220.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

570.08848

218.2

[M+Na]+

592.07042

218.2

[M-H]-

568.07392

222.3

[M+NH4]+

587.11502

226.4

[M+K]+

608.04436

223.1

[M+H-H2O]+

552.07846

205.2

[M+HCOO]-

614.07940

231.4

[M+CH3COO]-

628.09505

223.1

[M+Na-2H]-

590.05587

210.2

[M]+

569.08065

220.5

[M]-

569.08175

220.5

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

5(6)-iodoacetamidotetramethylrhodamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe