CID 5288605

(5s)-5-iododihydro-2,4(1h,3h)-pyrimidinedione

Structural Information

Molecular Formula

C₄H₅IN₂O₂

SMILES

C1[C@@H](C(=O)NC(=O)N1)I

InChI

InChI=1S/C4H5IN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)/t2-/m0/s1

InChIKey

YGKCTZPSAOUUMT-REOHCLBHSA-N

Compound name

(5S)-5-iodo-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 239.93958 Da
Monoisotopic Mass: -0.4
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]+	240.94686	131.2
[M+Na]+	262.92880	131.9
[M-H]-	238.93230	122.7
[M+NH4]+	257.97340	144.2
[M+K]+	278.90274	135.3
[M+H-H2O]+	222.93684	121.8
[M+HCOO]-	284.93778	143.3
[M+CH3COO]-	298.95343	174.5
[M+Na-2H]-	260.91425	124.3
[M]+	239.93903	122.5
[M]-	239.94013	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe