CID 16074166

2,4(1h,3h)-pyrimidinedione, 6-amino-1-[2-bromo-4-hydroxy-3-(hydroxymethyl)-2-butenyl]-

Structural Information

Molecular Formula
C9H12BrN3O4
SMILES
C1=C(N(C(=O)NC1=O)CC(=C(CO)CO)Br)N
InChI
InChI=1S/C9H12BrN3O4/c10-6(5(3-14)4-15)2-13-7(11)1-8(16)12-9(13)17/h1,14-15H,2-4,11H2,(H,12,16,17)
InChIKey
RAVUIGJTVSHZLY-UHFFFAOYSA-N
Compound name
6-amino-1-[2-bromo-4-hydroxy-3-(hydroxymethyl)but-2-enyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.00113 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.00841 154.1
[M+Na]+ 327.99035 164.4
[M-H]- 303.99385 153.8
[M+NH4]+ 323.03495 167.7
[M+K]+ 343.96429 151.2
[M+H-H2O]+ 287.99839 152.2
[M+HCOO]- 349.99933 168.9
[M+CH3COO]- 364.01498 194.5
[M+Na-2H]- 325.97580 156.7
[M]+ 305.00058 169.4
[M]- 305.00168 169.4
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.