CID 3011349

1(2h)-pyrimidinepentanamide, 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-n,5-dimethyl-2,6-dioxo-

Structural Information

Molecular Formula
C30H54N4O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCC(=O)NC)[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/C30H54N4O9SSi2/c1-20-17-34(27(37)33(25(20)36)16-14-13-15-23(35)32-8)26-24(42-46(11,12)29(5,6)7)30(21(31)19-44(38,39)43-30)22(41-26)18-40-45(9,10)28(2,3)4/h17,19,22,24,26H,13-16,18,31H2,1-12H3,(H,32,35)/t22-,24+,26-,30?/m1/s1
InChIKey
ASCMVAVLQNEOCG-KGGKJGQHSA-N
Compound name
5-[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]-N-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

702.315 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.32228 251.1
[M+Na]+ 725.30422 254.0
[M-H]- 701.30772 257.5
[M+NH4]+ 720.34882 253.8
[M+K]+ 741.27816 256.7
[M+H-H2O]+ 685.31226 249.0
[M+HCOO]- 747.31320 255.3
[M+CH3COO]- 761.32885 276.5
[M+Na-2H]- 723.28967 240.2
[M]+ 702.31445 264.0
[M]- 702.31555 264.0
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.