CID 3602

Hexahydrosiladifenidol

Structural Information

Molecular Formula
C20H33NOSi
SMILES
C1CCC(CC1)[Si](CCCN2CCCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2
InChIKey
QTBCATBNRIYMPB-UHFFFAOYSA-N
Compound name
cyclohexyl-hydroxy-phenyl-(3-piperidin-1-ylpropyl)silane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

68
References

385
Patents

331.23315 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.24043 182.3
[M+Na]+ 354.22237 180.6
[M-H]- 330.22587 185.7
[M+NH4]+ 349.26697 193.0
[M+K]+ 370.19631 175.6
[M+H-H2O]+ 314.23041 172.1
[M+HCOO]- 376.23135 192.5
[M+CH3COO]- 390.24700 203.7
[M+Na-2H]- 352.20782 183.0
[M]+ 331.23260 171.9
[M]- 331.23370 171.9
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