CID 5279512

Chembl2373358

Structural Information

Molecular Formula
C26H48N4O7SSi2
SMILES
CCN1C(=O)C(=CN(C1=O)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)N3)N)O[Si](C)(C)C(C)(C)C)C
InChI
InChI=1S/C26H48N4O7SSi2/c1-13-29-21(31)17(2)14-30(23(29)32)22-20(37-40(11,12)25(6,7)8)26(18(27)16-38(33,34)28-26)19(36-22)15-35-39(9,10)24(3,4)5/h14,16,19-20,22,28H,13,15,27H2,1-12H3/t19-,20+,22-,26-/m1/s1
InChIKey
CVKWPQZNBOXHNQ-RVNGOIKDSA-N
Compound name
1-[(5R,6S,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-7-oxa-2lambda6-thia-1-azaspiro[4.4]non-3-en-8-yl]-3-ethyl-5-methylpyrimidine-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 235.3
[M+Na]+ 639.26742 241.4
[M-H]- 615.27092 239.7
[M+NH4]+ 634.31202 241.7
[M+K]+ 655.24136 241.0
[M+H-H2O]+ 599.27546 232.9
[M+HCOO]- 661.27640 238.4
[M+CH3COO]- 675.29205 256.3
[M+Na-2H]- 637.25287 238.0
[M]+ 616.27765 244.6
[M]- 616.27875 244.6
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.