CID 396168

Nsc701716

Structural Information

Molecular Formula
C22H34N2O4Si
SMILES
CCC1=C(N(C(=O)NC1=O)COCCO[Si](C)(C)C(C)(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C22H34N2O4Si/c1-7-18-19(15-17-11-9-8-10-12-17)24(21(26)23-20(18)25)16-27-13-14-28-29(5,6)22(2,3)4/h8-12H,7,13-16H2,1-6H3,(H,23,25,26)
InChIKey
IFBYDXXDIPIBON-UHFFFAOYSA-N
Compound name
6-benzyl-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.2288 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.23608 203.6
[M+Na]+ 441.21802 210.2
[M-H]- 417.22152 206.1
[M+NH4]+ 436.26262 211.6
[M+K]+ 457.19196 205.5
[M+H-H2O]+ 401.22606 194.1
[M+HCOO]- 463.22700 218.4
[M+CH3COO]- 477.24265 223.6
[M+Na-2H]- 439.20347 205.6
[M]+ 418.22825 209.6
[M]- 418.22935 209.6
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.