CID 387260

Nsc680841

Structural Information

Molecular Formula
C15H16N2O5Se
SMILES
C1=CC=C(C=C1)[Se]C2C(C(OC2N3C=CC(=O)NC3=O)CO)O
InChI
InChI=1S/C15H16N2O5Se/c18-8-10-12(20)13(23-9-4-2-1-3-5-9)14(22-10)17-7-6-11(19)16-15(17)21/h1-7,10,12-14,18,20H,8H2,(H,16,19,21)
InChIKey
FDVQDKKPZOYSHN-UHFFFAOYSA-N
Compound name
1-[4-hydroxy-5-(hydroxymethyl)-3-phenylselanyloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.02243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.02971 183.1
[M+Na]+ 407.01165 190.6
[M-H]- 383.01515 187.2
[M+NH4]+ 402.05625 192.4
[M+K]+ 422.98559 185.9
[M+H-H2O]+ 367.01969 173.8
[M+HCOO]- 429.02063 198.4
[M+CH3COO]- 443.03628 200.7
[M+Na-2H]- 404.99710 182.4
[M]+ 384.02188 182.0
[M]- 384.02298 182.0
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.