CID 73555360

Dtxsid80889158

Structural Information

Molecular Formula
C34H56N4O8Si2
SMILES
CO[Si](CCCN(C1=CC=CC=C1)C(=O)NCC2CCCC(C2)CNC(=O)N(CCC[Si](OC)(OC)OC)C3=CC=CC=C3)(OC)OC
InChI
InChI=1S/C34H56N4O8Si2/c1-41-47(42-2,43-3)24-14-22-37(31-18-9-7-10-19-31)33(39)35-27-29-16-13-17-30(26-29)28-36-34(40)38(32-20-11-8-12-21-32)23-15-25-48(44-4,45-5)46-6/h7-12,18-21,29-30H,13-17,22-28H2,1-6H3,(H,35,39)(H,36,40)
InChIKey
QNPGSYUUQAADKX-UHFFFAOYSA-N
Compound name
1-phenyl-3-[[3-[[[phenyl(3-trimethoxysilylpropyl)carbamoyl]amino]methyl]cyclohexyl]methyl]-1-(3-trimethoxysilylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

704.36365 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.37093 260.4
[M+Na]+ 727.35287 251.9
[M-H]- 703.35637 267.6
[M+NH4]+ 722.39747 257.8
[M+K]+ 743.32681 255.1
[M+H-H2O]+ 687.36091 247.0
[M+HCOO]- 749.36185 275.6
[M+CH3COO]- 763.37750 286.0
[M+Na-2H]- 725.33832 259.8
[M]+ 704.36310 267.0
[M]- 704.36420 267.0
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.