CID 11631764

Iodmetacyclur

Structural Information

Molecular Formula
C9H13IN2O5
SMILES
CC1=C(C(=O)NC(=O)N1COC(CO)CO)I
InChI
InChI=1S/C9H13IN2O5/c1-5-7(10)8(15)11-9(16)12(5)4-17-6(2-13)3-14/h6,13-14H,2-4H2,1H3,(H,11,15,16)
InChIKey
AIXPEINOWMVCJW-UHFFFAOYSA-N
Compound name
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-iodo-6-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

355.9869 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.99418 163.0
[M+Na]+ 378.97612 165.0
[M-H]- 354.97962 154.1
[M+NH4]+ 374.02072 171.4
[M+K]+ 394.95006 167.9
[M+H-H2O]+ 338.98416 152.5
[M+HCOO]- 400.98510 175.5
[M+CH3COO]- 415.00075 195.1
[M+Na-2H]- 376.96157 153.0
[M]+ 355.98635 162.3
[M]- 355.98745 162.3
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

No patent data available for this compound.