PubChemLite - Iodipamide (C20H14I6N2O6)

Structural Information

Molecular Formula

SMILES

C1=C(C(=C(C(=C1I)NC(=O)CCCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I

InChI

InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)

InChIKey

FFINMCNLQNTKLU-UHFFFAOYSA-N

Compound name

3-[[6-(3-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic 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]+	1140.5193	258.2
[M+Na]+	1162.5012	247.3
[M-H]-	1138.5047	256.5
[M+NH4]+	1157.5458	253.6
[M+K]+	1178.4752	254.7
[M+H-H2O]+	1122.5093	249.6
[M+HCOO]-	1184.5102	252.5
[M+CH3COO]-	1198.5259	256.1
[M+Na-2H]-	1160.4867	226.6
[M]+	1139.5115	252.4
[M]-	1139.5125	252.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1140.5193

258.2

[M+Na]+

1162.5012

247.3

[M-H]-

1138.5047

256.5

[M+NH4]+

1157.5458

253.6

[M+K]+

1178.4752

254.7

[M+H-H2O]+

1122.5093

249.6

[M+HCOO]-

1184.5102

252.5

[M+CH3COO]-

1198.5259

256.1

[M+Na-2H]-

1160.4867

226.6

[M]+

1139.5115

252.4

[M]-

1139.5125

252.4

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

Iodipamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe