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
2
Annotation Hits

14
References

218
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

literature stripe

Patent stripe

patents stripe