CID 59664

102585-91-1

Structural Information

Molecular Formula
C10H15IN2O4
SMILES
CC(C)C1(C(=O)NC(=O)NC1=O)CC(CI)O
InChI
InChI=1S/C10H15IN2O4/c1-5(2)10(3-6(14)4-11)7(15)12-9(17)13-8(10)16/h5-6,14H,3-4H2,1-2H3,(H2,12,13,15,16,17)
InChIKey
IBXFSFRDJYTSHK-UHFFFAOYSA-N
Compound name
5-(2-hydroxy-3-iodopropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.00766 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.01494 162.6
[M+Na]+ 376.99688 161.8
[M-H]- 353.00038 152.7
[M+NH4]+ 372.04148 172.5
[M+K]+ 392.97082 164.9
[M+H-H2O]+ 337.00492 153.7
[M+HCOO]- 399.00586 170.0
[M+CH3COO]- 413.02151 195.2
[M+Na-2H]- 374.98233 150.8
[M]+ 354.00711 155.8
[M]- 354.00821 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.