CID 116921

N-(triethoxysilylpropyl)dansylamide

Structural Information

Molecular Formula
C21H34N2O5SSi
SMILES
CCO[Si](CCCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)(OCC)OCC
InChI
InChI=1S/C21H34N2O5SSi/c1-6-26-30(27-7-2,28-8-3)17-11-16-22-29(24,25)21-15-10-12-18-19(21)13-9-14-20(18)23(4)5/h9-10,12-15,22H,6-8,11,16-17H2,1-5H3
InChIKey
AWGTUBDCLHXASR-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-N-(3-triethoxysilylpropyl)naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

132
Patents

454.19577 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.20305 207.6
[M+Na]+ 477.18499 210.8
[M-H]- 453.18849 211.6
[M+NH4]+ 472.22959 218.3
[M+K]+ 493.15893 208.6
[M+H-H2O]+ 437.19303 198.8
[M+HCOO]- 499.19397 222.8
[M+CH3COO]- 513.20962 236.6
[M+Na-2H]- 475.17044 211.6
[M]+ 454.19522 218.1
[M]- 454.19632 218.1
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