CID 387256

Nsc680837

Structural Information

Molecular Formula
C23H40N2O8Si2
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/C23H40N2O8Si2/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/h10-11,13-17,19-21,27H,12H2,1-9H3
InChIKey
SDNSUZRVBFXLON-UHFFFAOYSA-N
Compound name
11-[hydroxy(methoxy)methyl]-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-dien-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.2323 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.23958 225.7
[M+Na]+ 551.22152 229.2
[M-H]- 527.22502 227.4
[M+NH4]+ 546.26612 229.3
[M+K]+ 567.19546 231.2
[M+H-H2O]+ 511.22956 222.1
[M+HCOO]- 573.23050 224.7
[M+CH3COO]- 587.24615 248.5
[M+Na-2H]- 549.20697 218.2
[M]+ 528.23175 228.4
[M]- 528.23285 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.