CID 42281

57355-26-7

Structural Information

Molecular Formula

C₇H₁₂I₂N₂O₂

SMILES

C(CNC(=O)CI)CNC(=O)CI

InChI

InChI=1S/C7H12I2N2O2/c8-4-6(12)10-2-1-3-11-7(13)5-9/h1-5H2,(H,10,12)(H,11,13)

InChIKey

OYERRQARJGUJNH-UHFFFAOYSA-N

Compound name

2-iodo-N-[3-[(2-iodoacetyl)amino]propyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 409.89883 Da
Monoisotopic Mass: 0.6
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]+	410.90611	164.4
[M+Na]+	432.88805	155.1
[M-H]-	408.89155	153.5
[M+NH4]+	427.93265	172.2
[M+K]+	448.86199	165.9
[M+H-H2O]+	392.89609	152.5
[M+HCOO]-	454.89703	176.3
[M+CH3COO]-	468.91268	209.5
[M+Na-2H]-	430.87350	149.2
[M]+	409.89828	159.8
[M]-	409.89938	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe