CID 208328

Uracil, 3-benzyl-5-bromo-1,6-dimethyl-

Structural Information

Molecular Formula
C13H13BrN2O2
SMILES
CC1=C(C(=O)N(C(=O)N1C)CC2=CC=CC=C2)Br
InChI
InChI=1S/C13H13BrN2O2/c1-9-11(14)12(17)16(13(18)15(9)2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKey
NPSSKLWIPCMJBU-UHFFFAOYSA-N
Compound name
3-benzyl-5-bromo-1,6-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.01605 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.02333 155.3
[M+Na]+ 331.00527 169.9
[M-H]- 307.00877 163.1
[M+NH4]+ 326.04987 172.2
[M+K]+ 346.97921 157.6
[M+H-H2O]+ 291.01331 153.6
[M+HCOO]- 353.01425 175.7
[M+CH3COO]- 367.02990 202.0
[M+Na-2H]- 328.99072 161.6
[M]+ 308.01550 177.0
[M]- 308.01660 177.0
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

No patent data available for this compound.