CID 3011359

1-[(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]-3-[2-(3h-indol-3-yl)ethyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C34H52N4O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCC2C=NC3=CC=CC=C23)[C@H]4[C@@H](C5([C@H](O4)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O5)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C34H52N4O8SSi2/c1-22-19-38(31(40)37(29(22)39)17-16-23-18-36-25-15-13-12-14-24(23)25)30-28(45-49(10,11)33(5,6)7)34(26(35)21-47(41,42)46-34)27(44-30)20-43-48(8,9)32(2,3)4/h12-15,18-19,21,23,27-28,30H,16-17,20,35H2,1-11H3/t23?,27-,28+,30-,34?/m1/s1
InChIKey
WYUNZANMXZTKOL-BBEHTMAKSA-N
Compound name
1-[(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]-3-[2-(3H-indol-3-yl)ethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

732.30444 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.31172 263.5
[M+Na]+ 755.29366 269.1
[M-H]- 731.29716 274.3
[M+NH4]+ 750.33826 266.8
[M+K]+ 771.26760 270.9
[M+H-H2O]+ 715.30170 261.3
[M+HCOO]- 777.30264 266.8
[M+CH3COO]- 791.31829 278.0
[M+Na-2H]- 753.27911 265.7
[M]+ 732.30389 276.6
[M]- 732.30499 276.6
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.