CID 24884893

Latanoprost tris(triethylsilyl) ether

Structural Information

Molecular Formula
C44H82O5Si3
SMILES
CC[Si](CC)(CC)O[C@@H]1C[C@@H]([C@@H]([C@H]1CC[C@H](CCC2=CC=CC=C2)O[Si](CC)(CC)CC)C/C=C\CCCC(=O)OC(C)C)O[Si](CC)(CC)CC
InChI
InChI=1S/C44H82O5Si3/c1-12-50(13-2,14-3)47-39(33-32-38-28-24-23-25-29-38)34-35-41-40(30-26-21-22-27-31-44(45)46-37(10)11)42(48-51(15-4,16-5)17-6)36-43(41)49-52(18-7,19-8)20-9/h21,23-26,28-29,37,39-43H,12-20,22,27,30-36H2,1-11H3/b26-21-/t39-,40+,41+,42-,43+/m0/s1
InChIKey
BDKOEHDXBRAVIY-ONPUMRPCSA-N
Compound name
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-2-[(3R)-5-phenyl-3-triethylsilyloxypentyl]-3,5-bis(triethylsilyloxy)cyclopentyl]hept-5-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

774.547 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.55428 268.9
[M+Na]+ 797.53622 277.7
[M-H]- 773.53972 263.1
[M+NH4]+ 792.58082 279.6
[M+K]+ 813.51016 281.5
[M+H-H2O]+ 757.54426 267.1
[M+HCOO]- 819.54520 282.1
[M+CH3COO]- 833.56085 291.7
[M+Na-2H]- 795.52167 252.9
[M]+ 774.54645 273.9
[M]- 774.54755 273.9
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.