CID 513125

(2r,3r,3ar,9ar)-2-(5,6-dichloro-benzoimidazol-1-yl)-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-3-ol

Structural Information

Molecular Formula
C24H38Cl2N2O5Si2
SMILES
CC(C)[Si]1(OC[C@@H]2[C@@H]([C@H]([C@@H](O2)N3C=NC4=CC(=C(C=C43)Cl)Cl)O)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C24H38Cl2N2O5Si2/c1-13(2)34(14(3)4)30-11-21-23(32-35(33-34,15(5)6)16(7)8)22(29)24(31-21)28-12-27-19-9-17(25)18(26)10-20(19)28/h9-10,12-16,21-24,29H,11H2,1-8H3/t21-,22-,23+,24-/m1/s1
InChIKey
MDFYYURNHORSHX-JLLPCOHGSA-N
Compound name
(6aR,8R,9R,9aR)-8-(5,6-dichlorobenzimidazol-1-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.1696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.17688 225.1
[M+Na]+ 583.15882 229.6
[M-H]- 559.16232 227.7
[M+NH4]+ 578.20342 228.5
[M+K]+ 599.13276 229.4
[M+H-H2O]+ 543.16686 221.0
[M+HCOO]- 605.16780 222.1
[M+CH3COO]- 619.18345 225.2
[M+Na-2H]- 581.14427 216.0
[M]+ 560.16905 228.0
[M]- 560.17015 228.0
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.