CID 207368

Brn 1230958

Structural Information

Molecular Formula
C14H12I4N2O5
SMILES
C1COCCN1C(=O)C2=C(C(=C(C(=C2I)I)C(=O)NCC(=O)O)I)I
InChI
InChI=1S/C14H12I4N2O5/c15-9-7(13(23)19-5-6(21)22)10(16)12(18)8(11(9)17)14(24)20-1-3-25-4-2-20/h1-5H2,(H,19,23)(H,21,22)
InChIKey
ULUIEQXXFGJXOE-UHFFFAOYSA-N
Compound name
2-[[2,3,5,6-tetraiodo-4-(morpholine-4-carbonyl)benzoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

795.6925 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 796.69978 200.6
[M+Na]+ 818.68172 185.0
[M-H]- 794.68522 193.0
[M+NH4]+ 813.72632 195.9
[M+K]+ 834.65566 199.6
[M+H-H2O]+ 778.68976 188.4
[M+HCOO]- 840.69070 197.6
[M+CH3COO]- 854.70635 246.5
[M+Na-2H]- 816.66717 180.5
[M]+ 795.69195 193.5
[M]- 795.69305 193.5
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.