CID 135409435

Eprociclovir

Structural Information

Molecular Formula
C11H15N5O3
SMILES
C1[C@H]([C@@]1(CN2C=NC3=C2N=C(NC3=O)N)CO)CO
InChI
InChI=1S/C11H15N5O3/c12-10-14-8-7(9(19)15-10)13-5-16(8)3-11(4-18)1-6(11)2-17/h5-6,17-18H,1-4H2,(H3,12,14,15,19)/t6-,11-/m0/s1
InChIKey
JLYSZBQNRJVPEP-KGFZYKRKSA-N
Compound name
2-amino-9-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

128
Patents

265.1175 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.124776 166.4
[M+Na]+ 288.106718 179.5
[M-H]- 264.110224 166.7
[M+NH4]+ 283.151323 175.9
[M+K]+ 304.080658 171.7
[M+H-H2O]+ 248.114760 159.7
[M+HCOO]- 310.115701 183.7
[M+CH3COO]- 324.131351 176.5
[M+Na-2H]- 286.092166 170.9
[M]+ 265.11695142 169.6
[M]- 265.11804858 169.6
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.