CID 73555359

282089-75-2

Structural Information

Molecular Formula
C22H35N3O5Si
SMILES
CO[Si](CCCN(C1=CC=CC=C1)C(=O)NCC2CCCC(C2)CN=C=O)(OC)OC
InChI
InChI=1S/C22H35N3O5Si/c1-28-31(29-2,30-3)14-8-13-25(21-11-5-4-6-12-21)22(27)24-17-20-10-7-9-19(15-20)16-23-18-26/h4-6,11-12,19-20H,7-10,13-17H2,1-3H3,(H,24,27)
InChIKey
PVBMYCWKNJZKIG-UHFFFAOYSA-N
Compound name
3-[[3-(isocyanatomethyl)cyclohexyl]methyl]-1-phenyl-1-(3-trimethoxysilylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.2346 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.24188 207.1
[M+Na]+ 472.22382 212.5
[M+NH4]+ 467.26842 210.8
[M+K]+ 488.19776 207.6
[M-H]- 448.22732 209.5
[M+Na-2H]- 470.20927 210.6
[M]+ 449.23405 207.9
[M]- 449.23515 207.9
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.