CID 6475113

3-n-[((e)-4-oxopent-2-en-2-yl)oxyhexyl]tsao-t

Structural Information

Molecular Formula
C35H61N3O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCCO/C(=C/C(=O)C)/C)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C35H61N3O10SSi2/c1-24-21-38(32(41)37(30(24)40)18-16-14-15-17-19-44-26(3)20-25(2)39)31-29(47-51(12,13)34(7,8)9)35(27(36)23-49(42,43)48-35)28(46-31)22-45-50(10,11)33(4,5)6/h20-21,23,28-29,31H,14-19,22,36H2,1-13H3/b26-20+/t28-,29+,31-,35?/m1/s1
InChIKey
UJPIXGKIRFKTDX-WSQIOYOHSA-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]-5-methyl-3-[6-[(E)-4-oxopent-2-en-2-yl]oxyhexyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

771.36163 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 772.36891 264.5
[M+Na]+ 794.35085 265.8
[M-H]- 770.35435 270.2
[M+NH4]+ 789.39545 265.8
[M+K]+ 810.32479 268.8
[M+H-H2O]+ 754.35889 262.8
[M+HCOO]- 816.35983 276.7
[M+CH3COO]- 830.37548 286.6
[M+Na-2H]- 792.33630 244.9
[M]+ 771.36108 280.0
[M]- 771.36218 280.0
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.