CID 464756

6-phse-acyl-u

Structural Information

Molecular Formula
C13H14N2O3Se
SMILES
CCOCN1C(=CC(=O)NC1=O)[Se]C2=CC=CC=C2
InChI
InChI=1S/C13H14N2O3Se/c1-2-18-9-15-12(8-11(16)14-13(15)17)19-10-6-4-3-5-7-10/h3-8H,2,9H2,1H3,(H,14,16,17)
InChIKey
JMQPPBRMDLWURY-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-6-phenylselanylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.01697 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.02425 169.6
[M+Na]+ 349.00619 178.3
[M-H]- 325.00969 172.1
[M+NH4]+ 344.05079 182.4
[M+K]+ 364.98013 173.3
[M+H-H2O]+ 309.01423 159.9
[M+HCOO]- 371.01517 190.0
[M+CH3COO]- 385.03082 195.3
[M+Na-2H]- 346.99164 173.7
[M]+ 326.01642 171.7
[M]- 326.01752 171.7
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

patents stripe