CID 92508

Einecs 260-352-8

Structural Information

Molecular Formula

C₁₅H₃₃Cl₂NO₅Si

SMILES

CCO[Si](CCCN(CC(CCl)O)CC(CCl)O)(OCC)OCC

InChI

InChI=1S/C15H33Cl2NO5Si/c1-4-21-24(22-5-2,23-6-3)9-7-8-18(12-14(19)10-16)13-15(20)11-17/h14-15,19-20H,4-13H2,1-3H3

InChIKey

XKXVAWYYKGISES-UHFFFAOYSA-N

Compound name

1-chloro-3-[(3-chloro-2-hydroxypropyl)-(3-triethoxysilylpropyl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 405.1505 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	406.157776	192.2
[M+Na]+	428.139718	194.7
[M-H]-	404.143224	189.3
[M+NH4]+	423.184323	204.2
[M+K]+	444.113658	191.7
[M+H-H2O]+	388.147760	187.7
[M+HCOO]-	450.148701	199.9
[M+CH3COO]-	464.164351	219.9
[M+Na-2H]-	426.125166	190.5
[M]+	405.14995142	202.4
[M]-	405.15104858	202.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe