CID 481037

1-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-(diethylaminomethyl)-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-3,5-dimethyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C23H40N4O7SSi
SMILES
CCN(CC)C[C@@H]1C2([C@H]([C@@H](O1)N3C=C(C(=O)N(C3=O)C)C)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C23H40N4O7SSi/c1-10-26(11-2)13-17-23(16(24)14-35(30,31)34-23)18(33-36(8,9)22(4,5)6)20(32-17)27-12-15(3)19(28)25(7)21(27)29/h12,14,17-18,20H,10-11,13,24H2,1-9H3/t17-,18+,20-,23?/m1/s1
InChIKey
ZXDXZZCXPNIICD-MLYQTBBXSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-(diethylaminomethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.2387 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.24598 219.0
[M+Na]+ 567.22792 226.9
[M-H]- 543.23142 228.2
[M+NH4]+ 562.27252 228.6
[M+K]+ 583.20186 227.8
[M+H-H2O]+ 527.23596 215.6
[M+HCOO]- 589.23690 229.9
[M+CH3COO]- 603.25255 252.8
[M+Na-2H]- 565.21337 220.1
[M]+ 544.23815 230.7
[M]- 544.23925 230.7
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.