CID 34497

29193-32-6

Structural Information

Molecular Formula
C11H10I3NO3
SMILES
CC(=O)N(C)C1=C(C=C(C(=C1I)CC(=O)O)I)I
InChI
InChI=1S/C11H10I3NO3/c1-5(16)15(2)11-8(13)4-7(12)6(10(11)14)3-9(17)18/h4H,3H2,1-2H3,(H,17,18)
InChIKey
SQSXVHHXESLUQG-UHFFFAOYSA-N
Compound name
2-[3-[acetyl(methyl)amino]-2,4,6-triiodophenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.7795 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.78678 167.4
[M+Na]+ 607.76872 155.3
[M-H]- 583.77222 158.4
[M+NH4]+ 602.81332 169.2
[M+K]+ 623.74266 169.6
[M+H-H2O]+ 567.77676 155.4
[M+HCOO]- 629.77770 172.2
[M+CH3COO]- 643.79335 231.8
[M+Na-2H]- 605.75417 150.2
[M]+ 584.77895 163.1
[M]- 584.78005 163.1
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

patents stripe