CID 3010827

Wo-00196353

Structural Information

Molecular Formula
C20H32N4O6
SMILES
C[C@@H](C(C)C)C(=O)O[C@@H]1C[C@@H](O[C@H]1COC(=O)[C@H](C(C)C)N)N2C=CC(=NC2=O)N
InChI
InChI=1S/C20H32N4O6/c1-10(2)12(5)18(25)30-13-8-16(24-7-6-15(21)23-20(24)27)29-14(13)9-28-19(26)17(22)11(3)4/h6-7,10-14,16-17H,8-9,22H2,1-5H3,(H2,21,23,27)/t12-,13+,14-,16+,17-/m0/s1
InChIKey
HJQJTMVTEZZSCX-NHMCJKAESA-N
Compound name
[(2S,3R,5R)-2-[[(2S)-2-amino-3-methylbutanoyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl] (2S)-2,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.23218 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.23946 203.1
[M+Na]+ 447.22140 205.2
[M-H]- 423.22490 206.7
[M+NH4]+ 442.26600 209.4
[M+K]+ 463.19534 206.3
[M+H-H2O]+ 407.22944 194.2
[M+HCOO]- 469.23038 216.4
[M+CH3COO]- 483.24603 235.2
[M+Na-2H]- 445.20685 194.6
[M]+ 424.23163 204.7
[M]- 424.23273 204.7
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.