CID 453572

1-((2-hydroxyethoxy)methyl)-6-(phenylselenenyl)-5-chlorouracil

Structural Information

Molecular Formula
C13H13ClN2O4Se
SMILES
C1=CC=C(C=C1)[Se]C2=C(C(=O)NC(=O)N2COCCO)Cl
InChI
InChI=1S/C13H13ClN2O4Se/c14-10-11(18)15-13(19)16(8-20-7-6-17)12(10)21-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H,15,18,19)
InChIKey
OZRCGWMZQRHJED-UHFFFAOYSA-N
Compound name
5-chloro-1-(2-hydroxyethoxymethyl)-6-phenylselanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

375.9729 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.98018 177.4
[M+Na]+ 398.96212 187.0
[M-H]- 374.96562 178.7
[M+NH4]+ 394.00672 188.5
[M+K]+ 414.93606 180.3
[M+H-H2O]+ 358.97016 168.6
[M+HCOO]- 420.97110 191.8
[M+CH3COO]- 434.98675 200.1
[M+Na-2H]- 396.94757 180.0
[M]+ 375.97235 181.6
[M]- 375.97345 181.6
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

patents stripe