CID 6483027

1(2h)-pyrimidinehexanamide, 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
C31H56N4O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCCC(=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/C31H56N4O9SSi2/c1-21-18-35(28(38)34(26(21)37)17-15-13-14-16-24(36)33-8)27-25(43-47(11,12)30(5,6)7)31(22(32)20-45(39,40)44-31)23(42-27)19-41-46(9,10)29(2,3)4/h18,20,23,25,27H,13-17,19,32H2,1-12H3,(H,33,36)/t23-,25+,27-,31?/m1/s1
InChIKey
STJXPQYPKVHIBK-IVYBHQKFSA-N
Compound name
6-[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-methylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

716.3306 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 717.33788 254.9
[M+Na]+ 739.31982 257.4
[M-H]- 715.32332 261.1
[M+NH4]+ 734.36442 257.1
[M+K]+ 755.29376 259.9
[M+H-H2O]+ 699.32786 252.6
[M+HCOO]- 761.32880 258.8
[M+CH3COO]- 775.34445 279.2
[M+Na-2H]- 737.30527 243.0
[M]+ 716.33005 268.1
[M]- 716.33115 268.1
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.