CID 6475433

5-bromo-1-[(e)-2-diethoxyphosphorylvinyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H14BrN2O5P
SMILES
CCOP(=O)(/C=C/N1C=C(C(=O)NC1=O)Br)OCC
InChI
InChI=1S/C10H14BrN2O5P/c1-3-17-19(16,18-4-2)6-5-13-7-8(11)9(14)12-10(13)15/h5-7H,3-4H2,1-2H3,(H,12,14,15)/b6-5+
InChIKey
NVYGBAKHOORMQZ-AATRIKPKSA-N
Compound name
5-bromo-1-[(E)-2-diethoxyphosphorylethenyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.98236 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.98964 170.5
[M+Na]+ 374.97158 182.6
[M-H]- 350.97508 172.2
[M+NH4]+ 370.01618 184.9
[M+K]+ 390.94552 170.9
[M+H-H2O]+ 334.97962 166.8
[M+HCOO]- 396.98056 192.7
[M+CH3COO]- 410.99621 203.5
[M+Na-2H]- 372.95703 173.6
[M]+ 351.98181 193.8
[M]- 351.98291 193.8
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.