CID 387252

Nsc680833

Structural Information

Molecular Formula
C28H42N2O7Si2
SMILES
CC(C)[Si]1(OCC2C(CC(O2)N3C(=CC(=O)NC3=O)C(=O)C4=CC=CC=C4)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C28H42N2O7Si2/c1-17(2)38(18(3)4)34-16-24-23(36-39(37-38,19(5)6)20(7)8)15-26(35-24)30-22(14-25(31)29-28(30)33)27(32)21-12-10-9-11-13-21/h9-14,17-20,23-24,26H,15-16H2,1-8H3,(H,29,31,33)
InChIKey
OTUWKKUTCWETKI-UHFFFAOYSA-N
Compound name
6-benzoyl-1-[2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

574.25305 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.26033 217.9
[M+Na]+ 597.24227 220.9
[M-H]- 573.24577 221.4
[M+NH4]+ 592.28687 218.8
[M+K]+ 613.21621 222.1
[M+H-H2O]+ 557.25031 212.6
[M+HCOO]- 619.25125 218.4
[M+CH3COO]- 633.26690 252.3
[M+Na-2H]- 595.22772 210.2
[M]+ 574.25250 218.8
[M]- 574.25360 218.8
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.