CID 162426916

1010697-95-6

Structural Information

Molecular Formula
C35H52N2O13Si2
SMILES
CCO[Si](CCCNC(=O)C1=C(C=CC(=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)NCCC[Si](OCC)(OCC)OCC)C(=O)O)(OCC)OCC
InChI
InChI=1S/C35H52N2O13Si2/c1-7-45-51(46-8-2,47-9-3)21-13-19-36-32(39)29-23-25(15-17-27(29)34(41)42)31(38)26-16-18-28(35(43)44)30(24-26)33(40)37-20-14-22-52(48-10-4,49-11-5)50-12-6/h15-18,23-24H,7-14,19-22H2,1-6H3,(H,36,39)(H,37,40)(H,41,42)(H,43,44)
InChIKey
IGKJGDPLKUTDEK-UHFFFAOYSA-N
Compound name
4-[4-carboxy-3-(3-triethoxysilylpropylcarbamoyl)benzoyl]-2-(3-triethoxysilylpropylcarbamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

764.3008 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.30808 263.6
[M+Na]+ 787.29002 267.1
[M+NH4]+ 782.33462 269.2
[M+K]+ 803.26396 265.3
[M-H]- 763.29352 265.0
[M+Na-2H]- 785.27547 266.9
[M]+ 764.30025 265.3
[M]- 764.30135 265.3
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.