CID 73555416

2-propenoic acid, 1,1'-(2-(((((3-(8,8-dimethoxy-3-oxo-9-oxa-4-thia-2-aza-8-siladec-1-yl)-3,5,5-trimethylcyclohexyl)amino)carbonyl)oxy)methyl)-2-(((1-oxo-2-propen-1-yl)oxy)methyl)-1,3-propanediyl) ester

Structural Information

Molecular Formula
C32H52N2O12SSi
SMILES
CC1(CC(CC(C1)(C)CNC(=O)SCCC[Si](OC)(OC)OC)NC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C
InChI
InChI=1S/C32H52N2O12SSi/c1-10-25(35)43-20-32(21-44-26(36)11-2,22-45-27(37)12-3)23-46-28(38)34-24-16-30(4,5)18-31(6,17-24)19-33-29(39)47-14-13-15-48(40-7,41-8)42-9/h10-12,24H,1-3,13-23H2,4-9H3,(H,33,39)(H,34,38)
InChIKey
QFMUEOYJZRLVGE-UHFFFAOYSA-N
Compound name
[2,2-bis(prop-2-enoyloxymethyl)-3-[[3,3,5-trimethyl-5-[(3-trimethoxysilylpropylsulfanylcarbonylamino)methyl]cyclohexyl]carbamoyloxy]propyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

716.301 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 717.30828 264.4
[M+Na]+ 739.29022 272.0
[M-H]- 715.29372 272.9
[M+NH4]+ 734.33482 280.3
[M+K]+ 755.26416 270.8
[M+H-H2O]+ 699.29826 263.3
[M+HCOO]- 761.29920 269.7
[M+CH3COO]- 775.31485 276.1
[M+Na-2H]- 737.27567 251.0
[M]+ 716.30045 266.6
[M]- 716.30155 266.6
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.