CID 32303

24340-25-8

Structural Information

Molecular Formula
C15H18I3NO4
SMILES
CCC(C(=O)O)OC1=C(C=C(C(=C1I)N(CC)C(=O)CC)I)I
InChI
InChI=1S/C15H18I3NO4/c1-4-10(15(21)22)23-14-9(17)7-8(16)13(12(14)18)19(6-3)11(20)5-2/h7,10H,4-6H2,1-3H3,(H,21,22)
InChIKey
YOKNDPUQYBRNIH-UHFFFAOYSA-N
Compound name
2-[3-[ethyl(propanoyl)amino]-2,4,6-triiodophenoxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

656.837 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 657.84428 186.0
[M+Na]+ 679.82622 172.5
[M-H]- 655.82972 176.6
[M+NH4]+ 674.87082 185.8
[M+K]+ 695.80016 187.0
[M+H-H2O]+ 639.83426 173.3
[M+HCOO]- 701.83520 189.3
[M+CH3COO]- 715.85085 240.4
[M+Na-2H]- 677.81167 166.4
[M]+ 656.83645 182.8
[M]- 656.83755 182.8
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.