CID 512735

Epervudine

Structural Information

Molecular Formula
C12H18N2O5
SMILES
CC(C)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H18N2O5/c1-6(2)7-4-14(12(18)13-11(7)17)10-3-8(16)9(5-15)19-10/h4,6,8-10,15-16H,3,5H2,1-2H3,(H,13,17,18)/t8-,9+,10+/m0/s1
InChIKey
PHUUXVYXSRZACJ-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

223
Patents

270.12158 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12886 159.4
[M+Na]+ 293.11080 167.8
[M-H]- 269.11430 161.0
[M+NH4]+ 288.15540 171.9
[M+K]+ 309.08474 165.2
[M+H-H2O]+ 253.11884 152.6
[M+HCOO]- 315.11978 174.5
[M+CH3COO]- 329.13543 191.1
[M+Na-2H]- 291.09625 158.7
[M]+ 270.12103 159.0
[M]- 270.12213 159.0
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.