CID 463020

172255-87-7

Structural Information

Molecular Formula
C17H22N2O4Se
SMILES
CC1=CC(=CC=C1)[Se]C2=C(C(=O)NC(=O)N2COCCO)C(C)C
InChI
InChI=1S/C17H22N2O4Se/c1-11(2)14-15(21)18-17(22)19(10-23-8-7-20)16(14)24-13-6-4-5-12(3)9-13/h4-6,9,11,20H,7-8,10H2,1-3H3,(H,18,21,22)
InChIKey
HIJOFWHTFWSIFT-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-6-(3-methylphenyl)selanyl-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

398.0745 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.08178 190.6
[M+Na]+ 421.06372 198.4
[M-H]- 397.06722 191.9
[M+NH4]+ 416.10832 200.1
[M+K]+ 437.03766 193.0
[M+H-H2O]+ 381.07176 180.9
[M+HCOO]- 443.07270 207.2
[M+CH3COO]- 457.08835 210.5
[M+Na-2H]- 419.04917 189.6
[M]+ 398.07395 193.9
[M]- 398.07505 193.9
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