CID 207370

Brn 2226188

Structural Information

Molecular Formula
C12H10I4N2O4
SMILES
CNC(=O)C1=C(C(=C(C(=C1I)I)C(=O)N(C)CC(=O)O)I)I
InChI
InChI=1S/C12H10I4N2O4/c1-17-11(21)5-7(13)9(15)6(10(16)8(5)14)12(22)18(2)3-4(19)20/h3H2,1-2H3,(H,17,21)(H,19,20)
InChIKey
OXQOLFLAAUXSDS-UHFFFAOYSA-N
Compound name
2-[methyl-[2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

753.6819 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 754.68918 206.9
[M+Na]+ 776.67112 193.8
[M+NH4]+ 771.71572 199.8
[M+K]+ 792.64506 198.8
[M-H]- 752.67462 193.7
[M+Na-2H]- 774.65657 189.5
[M]+ 753.68135 199.1
[M]- 753.68245 199.1
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

No patent data available for this compound.