CID 468165

2-((n-(9-amino-3,6-dioxa-7,7-dioxo-1-(1,1,2,2-tetramethyl-1-silapropoxy)-4-((1,1,2,2-tetramethyl-1-silapropoxy)methyl)-7-thiaspiro[4.4]non-8-en-2-yl)carbamoyl)amino)phenyl acetate

Structural Information

Molecular Formula
C28H47N3O9SSi2
SMILES
CC(=O)OC1=CC=CC=C1NC(=O)N[C@@H]2C(C3(C(O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H47N3O9SSi2/c1-18(32)37-20-15-13-12-14-19(20)30-25(33)31-24-23(39-43(10,11)27(5,6)7)28(21(29)17-41(34,35)40-28)22(38-24)16-36-42(8,9)26(2,3)4/h12-15,17,22-24H,16,29H2,1-11H3,(H2,30,31,33)/t22?,23?,24-,28?/m0/s1
InChIKey
QYYOLXTWXUBVSU-GFEMTKQZSA-N
Compound name
[2-[[(8S)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]carbamoylamino]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

657.25714 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 658.26442 240.0
[M+Na]+ 680.24636 240.6
[M-H]- 656.24986 247.8
[M+NH4]+ 675.29096 246.1
[M+K]+ 696.22030 244.8
[M+H-H2O]+ 640.25440 238.2
[M+HCOO]- 702.25534 247.2
[M+CH3COO]- 716.27099 267.4
[M+Na-2H]- 678.23181 247.1
[M]+ 657.25659 249.7
[M]- 657.25769 249.7
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

No patent data available for this compound.