CID 15788110

162193-52-4

Structural Information

Molecular Formula

C₁₁H₁₀I₂N₂O₄

SMILES

CC(=O)NC1=C(C(=C(C(=C1)C(=O)O)I)NC(=O)C)I

InChI

InChI=1S/C11H10I2N2O4/c1-4(16)14-7-3-6(11(18)19)8(12)10(9(7)13)15-5(2)17/h3H,1-2H3,(H,14,16)(H,15,17)(H,18,19)

InChIKey

IUTSOSUQGPWYBZ-UHFFFAOYSA-N

Compound name

3,5-diacetamido-2,4-diiodobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 487.873 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe