CID 10394048

Chembl3143193

Structural Information

Molecular Formula
C26H48N4O7SSi2
SMILES
CC1=CN(C(=O)N=C1N(C)C)[C@H]2[C@@H]([C@]3([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/C26H48N4O7SSi2/c1-17-14-30(23(31)28-21(17)29(8)9)22-20(36-40(12,13)25(5,6)7)26(18(27)16-38(32,33)37-26)19(35-22)15-34-39(10,11)24(2,3)4/h14,16,19-20,22H,15,27H2,1-13H3/t19-,20+,22-,26-/m1/s1
InChIKey
ZKQMZFASHYOBEE-RVNGOIKDSA-N
Compound name
1-[(5R,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]-4-(dimethylamino)-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

616.2782 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.28548 232.5
[M+Na]+ 639.26742 237.7
[M-H]- 615.27092 241.0
[M+NH4]+ 634.31202 239.7
[M+K]+ 655.24136 240.7
[M+H-H2O]+ 599.27546 230.1
[M+HCOO]- 661.27640 239.0
[M+CH3COO]- 675.29205 263.5
[M+Na-2H]- 637.25287 237.4
[M]+ 616.27765 244.4
[M]- 616.27875 244.4
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.