CID 208327

Uracil, 1,6-dimethyl-5-iodo-3-phenyl-

Structural Information

Molecular Formula
C12H11IN2O2
SMILES
CC1=C(C(=O)N(C(=O)N1C)C2=CC=CC=C2)I
InChI
InChI=1S/C12H11IN2O2/c1-8-10(13)11(16)15(12(17)14(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey
DVVILHAVIZXVQQ-UHFFFAOYSA-N
Compound name
5-iodo-1,6-dimethyl-3-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 152.9
[M+Na]+ 364.97576 157.8
[M-H]- 340.97926 151.0
[M+NH4]+ 360.02036 164.0
[M+K]+ 380.94970 159.7
[M+H-H2O]+ 324.98380 141.2
[M+HCOO]- 386.98474 170.6
[M+CH3COO]- 401.00039 200.5
[M+Na-2H]- 362.96121 146.5
[M]+ 341.98599 153.0
[M]- 341.98709 153.0
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