CID 488495

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

Structural Information

Molecular Formula
C18H30N2O6Si
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)O)[C@H]2CC[C@H](O2)CO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C18H30N2O6Si/c1-12-9-19(17(24)20(16(12)23)10-15(21)22)14-8-7-13(26-14)11-25-27(5,6)18(2,3)4/h9,13-14H,7-8,10-11H2,1-6H3,(H,21,22)/t13-,14+/m0/s1
InChIKey
GBBNUHANHSBJTJ-UONOGXRCSA-N
Compound name
2-[3-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-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

398.18732 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.19460 190.5
[M+Na]+ 421.17654 197.3
[M-H]- 397.18004 194.3
[M+NH4]+ 416.22114 199.9
[M+K]+ 437.15048 196.4
[M+H-H2O]+ 381.18458 183.7
[M+HCOO]- 443.18552 203.4
[M+CH3COO]- 457.20117 218.5
[M+Na-2H]- 419.16199 190.3
[M]+ 398.18677 195.9
[M]- 398.18787 195.9
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.