CID 387258

Nsc680839

Structural Information

Molecular Formula
C22H40N2O8Si2
SMILES
CC(C)[Si]1(OCC2C(C(C(O2)N3C=CC(=O)NC3=O)(CO)O)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C22H40N2O8Si2/c1-13(2)33(14(3)4)29-11-17-19(31-34(32-33,15(5)6)16(7)8)22(28,12-25)20(30-17)24-10-9-18(26)23-21(24)27/h9-10,13-17,19-20,25,28H,11-12H2,1-8H3,(H,23,26,27)
InChIKey
AHROWOLVZJDNSE-UHFFFAOYSA-N
Compound name
1-[9-hydroxy-9-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[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

516.2323 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.23958 213.2
[M+Na]+ 539.22152 216.8
[M-H]- 515.22502 214.5
[M+NH4]+ 534.26612 215.8
[M+K]+ 555.19546 218.4
[M+H-H2O]+ 499.22956 209.3
[M+HCOO]- 561.23050 213.1
[M+CH3COO]- 575.24615 245.6
[M+Na-2H]- 537.20697 206.8
[M]+ 516.23175 214.4
[M]- 516.23285 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.