CID 111951

Einecs 273-405-5

Structural Information

Molecular Formula
C18H32N2O4Si
SMILES
CCO[Si](CCCNC(=O)NC(C)C1=CC=CC=C1)(OCC)OCC
InChI
InChI=1S/C18H32N2O4Si/c1-5-22-25(23-6-2,24-7-3)15-11-14-19-18(21)20-16(4)17-12-9-8-10-13-17/h8-10,12-13,16H,5-7,11,14-15H2,1-4H3,(H2,19,20,21)
InChIKey
HTHSRWGCXUDZTR-UHFFFAOYSA-N
Compound name
1-(1-phenylethyl)-3-(3-triethoxysilylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

325
Patents

368.21313 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22041 190.8
[M+Na]+ 391.20235 191.9
[M-H]- 367.20585 192.5
[M+NH4]+ 386.24695 202.7
[M+K]+ 407.17629 190.8
[M+H-H2O]+ 351.21039 182.2
[M+HCOO]- 413.21133 211.4
[M+CH3COO]- 427.22698 219.5
[M+Na-2H]- 389.18780 192.7
[M]+ 368.21258 195.8
[M]- 368.21368 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe