CID 208358

5-iodo-3,6-dimethyl-1-phenylpyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C12H11IN2O2
SMILES
CC1=C(C(=O)N(C(=O)N1C2=CC=CC=C2)C)I
InChI
InChI=1S/C12H11IN2O2/c1-8-10(13)11(16)14(2)12(17)15(8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey
BPIZQCUJUQUTMI-UHFFFAOYSA-N
Compound name
5-iodo-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.98654 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.99382 161.3
[M+Na]+ 364.97576 169.7
[M+NH4]+ 360.02036 164.3
[M+K]+ 380.94970 166.0
[M-H]- 340.97926 158.1
[M+Na-2H]- 362.96121 156.8
[M]+ 341.98599 160.6
[M]- 341.98709 160.6
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.