CID 23678

N,n'-ethylenebis(iodoacetamide)

Structural Information

Molecular Formula

C₆H₁₀I₂N₂O₂

SMILES

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

InChI

InChI=1S/C6H10I2N2O2/c7-3-5(11)9-1-2-10-6(12)4-8/h1-4H2,(H,9,11)(H,10,12)

InChIKey

RLFPCLMBTQOMLI-UHFFFAOYSA-N

Compound name

2-iodo-N-[2-[(2-iodoacetyl)amino]ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 19
References: 1800
Patents: 395.88318 Da
Monoisotopic Mass: 0.2
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]+	396.89046	159.8
[M+Na]+	418.87240	150.9
[M-H]-	394.87590	149.1
[M+NH4]+	413.91700	168.1
[M+K]+	434.84634	161.9
[M+H-H2O]+	378.88044	148.1
[M+HCOO]-	440.88138	172.0
[M+CH3COO]-	454.89703	207.1
[M+Na-2H]-	416.85785	145.2
[M]+	395.88263	155.0
[M]-	395.88373	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe