CID 15958299

1-benzyl-3-[(3,5-dimethylphenyl)methyl]-5-iodo-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C20H19IN2O2
SMILES
CC1=CC(=CC(=C1)CN2C(=O)C(=CN(C2=O)CC3=CC=CC=C3)I)C
InChI
InChI=1S/C20H19IN2O2/c1-14-8-15(2)10-17(9-14)12-23-19(24)18(21)13-22(20(23)25)11-16-6-4-3-5-7-16/h3-10,13H,11-12H2,1-2H3
InChIKey
ZGEDJWVVAPPEPJ-UHFFFAOYSA-N
Compound name
1-benzyl-3-[(3,5-dimethylphenyl)methyl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

446.04913 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.05641 185.2
[M+Na]+ 469.03835 188.6
[M-H]- 445.04185 185.4
[M+NH4]+ 464.08295 191.7
[M+K]+ 485.01229 188.1
[M+H-H2O]+ 429.04639 170.9
[M+HCOO]- 491.04733 201.2
[M+CH3COO]- 505.06298 220.3
[M+Na-2H]- 467.02380 176.4
[M]+ 446.04858 185.4
[M]- 446.04968 185.4
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.