CID 488485

2-(3-{3,4-dihydroxy-5-[(1,1,2,2-tetramethyl-1-silapropoxy)methyl]oxolan-2-yl}-5-methyl-2,6-dioxo-1,3-dihydropyrimidinyl)acetic acid

Structural Information

Molecular Formula
C18H30N2O8Si
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O)O
InChI
InChI=1S/C18H30N2O8Si/c1-10-7-20(17(26)19(15(10)25)8-12(21)22)16-14(24)13(23)11(28-16)9-27-29(5,6)18(2,3)4/h7,11,13-14,16,23-24H,8-9H2,1-6H3,(H,21,22)/t11-,13-,14-,16-/m1/s1
InChIKey
RVBGPCQZIQSCKC-XKVFNRALSA-N
Compound name
2-[3-[(2R,3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.17715 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.18443 195.7
[M+Na]+ 453.16637 202.5
[M-H]- 429.16987 197.5
[M+NH4]+ 448.21097 202.6
[M+K]+ 469.14031 201.9
[M+H-H2O]+ 413.17441 189.7
[M+HCOO]- 475.17535 205.8
[M+CH3COO]- 489.19100 221.9
[M+Na-2H]- 451.15182 194.2
[M]+ 430.17660 201.0
[M]- 430.17770 201.0
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.