CID 213256

Glutaranilic acid, 3'-amino-2',4',6'-triiodo-

Structural Information

Molecular Formula
C11H11I3N2O3
SMILES
C1=C(C(=C(C(=C1I)NC(=O)CCCC(=O)O)I)N)I
InChI
InChI=1S/C11H11I3N2O3/c12-5-4-6(13)11(9(14)10(5)15)16-7(17)2-1-3-8(18)19/h4H,1-3,15H2,(H,16,17)(H,18,19)
InChIKey
SVDWEKCXLIQGHS-UHFFFAOYSA-N
Compound name
5-(3-amino-2,4,6-triiodoanilino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

599.7904 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.79768 182.7
[M+Na]+ 622.77962 169.7
[M-H]- 598.78312 172.6
[M+NH4]+ 617.82422 183.2
[M+K]+ 638.75356 183.0
[M+H-H2O]+ 582.78766 170.0
[M+HCOO]- 644.78860 187.0
[M+CH3COO]- 658.80425 232.7
[M+Na-2H]- 620.76507 164.1
[M]+ 599.78985 176.2
[M]- 599.79095 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe