CID 73555359

Dtxsid20889157

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
2
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 206.4
[M+Na]+ 472.22382 205.2
[M-H]- 448.22732 212.9
[M+NH4]+ 467.26842 215.3
[M+K]+ 488.19776 204.8
[M+H-H2O]+ 432.23186 195.8
[M+HCOO]- 494.23280 227.3
[M+CH3COO]- 508.24845 239.5
[M+Na-2H]- 470.20927 207.5
[M]+ 449.23405 209.3
[M]- 449.23515 209.3
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

No patent data available for this compound.