CID 374535

Nsc652286

Structural Information

Molecular Formula
C10H13BrN2O3
SMILES
CC1=C(C(=O)NC(=O)N1C(C)OCC=C)Br
InChI
InChI=1S/C10H13BrN2O3/c1-4-5-16-7(3)13-6(2)8(11)9(14)12-10(13)15/h4,7H,1,5H2,2-3H3,(H,12,14,15)
InChIKey
PKARWJLDVIHUAW-UHFFFAOYSA-N
Compound name
5-bromo-6-methyl-1-(1-prop-2-enoxyethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.01096 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.01824 148.7
[M+Na]+ 311.00018 162.0
[M-H]- 287.00368 151.9
[M+NH4]+ 306.04478 165.6
[M+K]+ 326.97412 149.9
[M+H-H2O]+ 271.00822 147.8
[M+HCOO]- 333.00916 166.7
[M+CH3COO]- 347.02481 196.1
[M+Na-2H]- 308.98563 153.3
[M]+ 288.01041 169.6
[M]- 288.01151 169.6
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.