CID 396171

Nsc701719

Structural Information

Molecular Formula
C23H36N2O4Si
SMILES
CCC1=C(N(C(=O)NC1=O)COCCCO[Si](C)(C)C(C)(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C23H36N2O4Si/c1-7-19-20(16-18-12-9-8-10-13-18)25(22(27)24-21(19)26)17-28-14-11-15-29-30(5,6)23(2,3)4/h8-10,12-13H,7,11,14-17H2,1-6H3,(H,24,26,27)
InChIKey
BRRINWWDTUJXNL-UHFFFAOYSA-N
Compound name
6-benzyl-1-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.24445 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.25173 208.1
[M+Na]+ 455.23367 214.2
[M-H]- 431.23717 210.3
[M+NH4]+ 450.27827 215.5
[M+K]+ 471.20761 209.3
[M+H-H2O]+ 415.24171 198.4
[M+HCOO]- 477.24265 222.4
[M+CH3COO]- 491.25830 226.5
[M+Na-2H]- 453.21912 209.5
[M]+ 432.24390 214.4
[M]- 432.24500 214.4
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.