CID 69445129

1-(3-iodophenyl)dihydropyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C10H9IN2O2
SMILES
C1CN(C(=O)NC1=O)C2=CC(=CC=C2)I
InChI
InChI=1S/C10H9IN2O2/c11-7-2-1-3-8(6-7)13-5-4-9(14)12-10(13)15/h1-3,6H,4-5H2,(H,12,14,15)
InChIKey
UDCXFESTKZVVFM-UHFFFAOYSA-N
Compound name
1-(3-iodophenyl)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

315.9709 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.97818 148.8
[M+Na]+ 338.96012 149.5
[M-H]- 314.96362 144.2
[M+NH4]+ 334.00472 159.3
[M+K]+ 354.93406 151.6
[M+H-H2O]+ 298.96816 137.3
[M+HCOO]- 360.96910 161.8
[M+CH3COO]- 374.98475 191.0
[M+Na-2H]- 336.94557 141.5
[M]+ 315.97035 141.7
[M]- 315.97145 141.7
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

patents stripe