CID 16077141

2(1h)-pyrimidinone, 4-amino-1-[(2s,4r)-4-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]tetrahydro-4-phenyl-2-furanyl]-

Structural Information

Molecular Formula
C21H31N3O3Si
SMILES
CC(C)(C)[Si](C)(C)OC[C@]1(C[C@H](OC1)N2C=CC(=NC2=O)N)C3=CC=CC=C3
InChI
InChI=1S/C21H31N3O3Si/c1-20(2,3)28(4,5)27-15-21(16-9-7-6-8-10-16)13-18(26-14-21)24-12-11-17(22)23-19(24)25/h6-12,18H,13-15H2,1-5H3,(H2,22,23,25)/t18-,21+/m0/s1
InChIKey
SSNGZBWJGXUPEW-GHTZIAJQSA-N
Compound name
4-amino-1-[(2S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenyloxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.21347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.22075 196.3
[M+Na]+ 424.20269 202.2
[M-H]- 400.20619 203.5
[M+NH4]+ 419.24729 207.0
[M+K]+ 440.17663 199.5
[M+H-H2O]+ 384.21073 187.3
[M+HCOO]- 446.21167 211.5
[M+CH3COO]- 460.22732 221.1
[M+Na-2H]- 422.18814 199.5
[M]+ 401.21292 197.4
[M]- 401.21402 197.4
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.