CID 528783

150026-97-4

Structural Information

Molecular Formula
C38H114O19Si19
SMILES
C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)C
InChI
InChI=1S/C38H114O19Si19/c1-58(2)39-59(3,4)41-61(7,8)43-63(11,12)45-65(15,16)47-67(19,20)49-69(23,24)51-71(27,28)53-73(31,32)55-75(35,36)57-76(37,38)56-74(33,34)54-72(29,30)52-70(25,26)50-68(21,22)48-66(17,18)46-64(13,14)44-62(9,10)42-60(5,6)40-58/h1-38H3
InChIKey
NONJZHMTYPZINL-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38-octatriacontamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37-nonadecaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-nonadecasilacyclooctatriacontane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

1406.357 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1407.364276 189.8
[M+Na]+ 1429.346218 185.7
[M-H]- 1405.349724 192.3
[M+NH4]+ 1424.390823 190.0
[M+K]+ 1445.320158 171.8
[M+H-H2O]+ 1389.354260 196.4
[M+HCOO]- 1451.355201 193.0
[M+CH3COO]- 1465.370851 196.8
[M+Na-2H]- 1427.331666 218.2
[M]+ 1406.35645142 193.3
[M]- 1406.35754858 193.3
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

patents stripe