CID 387257

Nsc680838

Structural Information

Molecular Formula
C23H38N2O8Si2
SMILES
CC(C)[Si]1(OCC2C(C3C(O2)(N4C=CC(=O)N=C4O3)C(=O)OC)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C23H38N2O8Si2/c1-13(2)34(14(3)4)29-12-17-19(32-35(33-34,15(5)6)16(7)8)20-23(31-17,21(27)28-9)25-11-10-18(26)24-22(25)30-20/h10-11,13-17,19-20H,12H2,1-9H3
InChIKey
ATDRPSWPFAYZCR-UHFFFAOYSA-N
Compound name
methyl 15-oxo-4,4,6,6-tetra(propan-2-yl)-3,5,7,10,18-pentaoxa-12,16-diaza-4,6-disilatetracyclo[9.7.0.02,9.012,17]octadeca-13,16-diene-11-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.2167 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.22398 225.4
[M+Na]+ 549.20592 229.2
[M-H]- 525.20942 227.7
[M+NH4]+ 544.25052 229.3
[M+K]+ 565.17986 231.3
[M+H-H2O]+ 509.21396 221.8
[M+HCOO]- 571.21490 225.1
[M+CH3COO]- 585.23055 248.8
[M+Na-2H]- 547.19137 218.0
[M]+ 526.21615 228.4
[M]- 526.21725 228.4
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.