CID 6483028

1h-isoindole-1,3(2h)-dione, 2-[3-[3-[(6r,8r,9r)-4-amino-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3,6-dihydro-5-methyl-2,6-dioxo-1(2h)-pyrimidinyl]propyl]-

Structural Information

Molecular Formula
C35H52N4O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCN2C(=O)C3=CC=CC=C3C2=O)[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/C35H52N4O10SSi2/c1-22-19-39(32(43)38(28(22)40)18-14-17-37-29(41)23-15-12-13-16-24(23)30(37)42)31-27(48-52(10,11)34(5,6)7)35(25(36)21-50(44,45)49-35)26(47-31)20-46-51(8,9)33(2,3)4/h12-13,15-16,19,21,26-27,31H,14,17-18,20,36H2,1-11H3/t26-,27+,31-,35?/m1/s1
InChIKey
GYLAXCKXONEZKG-NAXJFGKDSA-N
Compound name
2-[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]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

776.29425 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 777.30153 234.9
[M+Na]+ 799.28347 245.6
[M-H]- 775.28697 235.4
[M+NH4]+ 794.32807 238.7
[M+K]+ 815.25741 236.0
[M+H-H2O]+ 759.29151 222.8
[M+HCOO]- 821.29245 240.5
[M+CH3COO]- 835.30810 287.1
[M+Na-2H]- 797.26892 241.7
[M]+ 776.29370 249.1
[M]- 776.29480 249.1
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.