CID 6475114

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

Structural Information

Molecular Formula
C37H65N3O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCCCCO/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/C37H65N3O10SSi2/c1-26-23-40(34(43)39(32(26)42)20-18-16-14-15-17-19-21-46-28(3)22-27(2)41)33-31(49-53(12,13)36(7,8)9)37(29(38)25-51(44,45)50-37)30(48-33)24-47-52(10,11)35(4,5)6/h22-23,25,30-31,33H,14-21,24,38H2,1-13H3/b28-22+/t30-,31+,33-,37?/m1/s1
InChIKey
VTRHKFCHJUENKZ-WFTAAUKGSA-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-[8-[(E)-4-oxopent-2-en-2-yl]oxyoctyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

799.39294 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 800.40022 272.0
[M+Na]+ 822.38216 272.3
[M-H]- 798.38566 277.3
[M+NH4]+ 817.42676 272.2
[M+K]+ 838.35610 275.1
[M+H-H2O]+ 782.39020 270.1
[M+HCOO]- 844.39114 282.4
[M+CH3COO]- 858.40679 291.8
[M+Na-2H]- 820.36761 250.5
[M]+ 799.39239 288.1
[M]- 799.39349 288.1
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.