CID 387259

Nsc680840

Structural Information

Molecular Formula
C27H42N2O6SeSi2
SMILES
CC(C)[Si]1(OCC2C(C(C(O2)N3C=CC(=O)NC3=O)[Se]C4=CC=CC=C4)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C27H42N2O6SeSi2/c1-17(2)37(18(3)4)32-16-22-24(34-38(35-37,19(5)6)20(7)8)25(36-21-12-10-9-11-13-21)26(33-22)29-15-14-23(30)28-27(29)31/h9-15,17-20,22,24-26H,16H2,1-8H3,(H,28,30,31)
InChIKey
YSAXPVLTIPIEPT-UHFFFAOYSA-N
Compound name
1-[9-phenylselanyl-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

626.1747 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 627.18198 221.9
[M+Na]+ 649.16392 224.8
[M-H]- 625.16742 225.2
[M+NH4]+ 644.20852 222.9
[M+K]+ 665.13786 225.5
[M+H-H2O]+ 609.17196 216.1
[M+HCOO]- 671.17290 222.4
[M+CH3COO]- 685.18855 252.0
[M+Na-2H]- 647.14937 213.9
[M]+ 626.17415 222.7
[M]- 626.17525 222.7
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

No patent data available for this compound.