CID 3011344

Benzyl n-[3-[3-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]propyl]carbamate

Structural Information

Molecular Formula
C35H56N4O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCNC(=O)OCC2=CC=CC=C2)[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C35H56N4O10SSi2/c1-24-20-39(32(42)38(29(24)40)19-15-18-37-31(41)45-21-25-16-13-12-14-17-25)30-28(48-52(10,11)34(5,6)7)35(26(36)23-50(43,44)49-35)27(47-30)22-46-51(8,9)33(2,3)4/h12-14,16-17,20,23,27-28,30H,15,18-19,21-22,36H2,1-11H3,(H,37,41)/t27-,28+,30-,35?/m1/s1
InChIKey
CKUQHNYRMSJWSE-RBYXWBELSA-N
Compound name
benzyl N-[3-[3-[(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]-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

780.32556 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 781.33284 240.8
[M+Na]+ 803.31478 250.8
[M-H]- 779.31828 242.1
[M+NH4]+ 798.35938 244.9
[M+K]+ 819.28872 239.6
[M+H-H2O]+ 763.32282 227.3
[M+HCOO]- 825.32376 246.5
[M+CH3COO]- 839.33941 288.2
[M+Na-2H]- 801.30023 255.7
[M]+ 780.32501 259.5
[M]- 780.32611 259.5
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.