CID 5284542

3,5-diacetamido-2,6-diiodobenzoic acid

Structural Information

Molecular Formula
C11H10I2N2O4
SMILES
CC(=O)NC1=CC(=C(C(=C1I)C(=O)O)I)NC(=O)C
InChI
InChI=1S/C11H10I2N2O4/c1-4(16)14-6-3-7(15-5(2)17)10(13)8(9(6)12)11(18)19/h3H,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKey
FMBYKVSRFAJNHZ-UHFFFAOYSA-N
Compound name
3,5-diacetamido-2,6-diiodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

487.873 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.880276 179.2
[M+Na]+ 510.862218 171.7
[M-H]- 486.865724 170.6
[M+NH4]+ 505.906823 184.2
[M+K]+ 526.836158 181.8
[M+H-H2O]+ 470.870260 166.8
[M+HCOO]- 532.871201 189.5
[M+CH3COO]- 546.886851 221.0
[M+Na-2H]- 508.847666 161.4
[M]+ 487.87245142 174.5
[M]- 487.87354858 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe