CID 6475115

3-n-[((e)-and (z)-4-oxopent-2-en-2-yl)oxypropyl]tsao-t

Structural Information

Molecular Formula
C32H55N3O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCO/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/C32H55N3O10SSi2/c1-21-18-35(29(38)34(27(21)37)15-14-16-41-23(3)17-22(2)36)28-26(44-48(12,13)31(7,8)9)32(24(33)20-46(39,40)45-32)25(43-28)19-42-47(10,11)30(4,5)6/h17-18,20,25-26,28H,14-16,19,33H2,1-13H3/b23-17-/t25-,26+,28-,32?/m1/s1
InChIKey
WAOJWEOAYFYKPU-DAXMOUSJSA-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-[3-[(Z)-4-oxopent-2-en-2-yl]oxypropyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

729.3147 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 730.32198 253.0
[M+Na]+ 752.30392 255.7
[M-H]- 728.30742 259.4
[M+NH4]+ 747.34852 254.9
[M+K]+ 768.27786 259.0
[M+H-H2O]+ 712.31196 251.8
[M+HCOO]- 774.31290 255.3
[M+CH3COO]- 788.32855 278.8
[M+Na-2H]- 750.28937 236.5
[M]+ 729.31415 267.7
[M]- 729.31525 267.7
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.