CID 453856

141684-56-2

Structural Information

Molecular Formula
C25H44N4O8SSi2
SMILES
CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H](C3([C@H](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/C25H44N4O8SSi2/c1-16(30)27-19-12-13-29(22(31)28-19)21-20(36-40(10,11)24(5,6)7)25(17(26)15-38(32,33)37-25)18(35-21)14-34-39(8,9)23(2,3)4/h12-13,15,18,20-21H,14,26H2,1-11H3,(H,27,28,30,31)/t18-,20+,21-,25?/m1/s1
InChIKey
UFCSIFXSVIJNMI-WIWHLUPGSA-N
Compound name
N-[1-[(6R,8R,9R)-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]-2-oxopyrimidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

616.2418 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.24908 231.7
[M+Na]+ 639.23102 235.9
[M-H]- 615.23452 238.7
[M+NH4]+ 634.27562 237.8
[M+K]+ 655.20496 238.7
[M+H-H2O]+ 599.23906 229.4
[M+HCOO]- 661.24000 237.4
[M+CH3COO]- 675.25565 258.5
[M+Na-2H]- 637.21647 237.8
[M]+ 616.24125 241.8
[M]- 616.24235 241.8
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.