CID 5279507

Chembl2373417

Structural Information

Molecular Formula
C26H48N4O7SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)N3C)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H48N4O7SSi2/c1-17-14-30(23(32)28(8)21(17)31)22-20(37-40(12,13)25(5,6)7)26(18(27)16-38(33,34)29(26)9)19(36-22)15-35-39(10,11)24(2,3)4/h14,16,19-20,22H,15,27H2,1-13H3/t19-,20+,22-,26-/m1/s1
InChIKey
YCFGXRIPAZOESP-RVNGOIKDSA-N
Compound name
1-[(5R,6S,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-2,2-dioxo-7-oxa-2lambda6-thia-1-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 233.4
[M+Na]+ 639.26742 240.7
[M-H]- 615.27092 239.5
[M+NH4]+ 634.31202 240.7
[M+K]+ 655.24136 241.0
[M+H-H2O]+ 599.27546 231.1
[M+HCOO]- 661.27640 238.0
[M+CH3COO]- 675.29205 259.6
[M+Na-2H]- 637.25287 236.0
[M]+ 616.27765 244.8
[M]- 616.27875 244.8
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.