CID 135410214

Buciclovir

Structural Information

Molecular Formula
C9H13N5O3
SMILES
C1=NC2=C(N1CC[C@H](CO)O)N=C(NC2=O)N
InChI
InChI=1S/C9H13N5O3/c10-9-12-7-6(8(17)13-9)11-4-14(7)2-1-5(16)3-15/h4-5,15-16H,1-3H2,(H3,10,12,13,17)/t5-/m1/s1
InChIKey
QOVUZUCXPAZXDZ-RXMQYKEDSA-N
Compound name
2-amino-9-[(3R)-3,4-dihydroxybutyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

840
Patents

239.10184 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10912 151.4
[M+Na]+ 262.09106 161.5
[M-H]- 238.09456 147.7
[M+NH4]+ 257.13566 164.4
[M+K]+ 278.06500 156.8
[M+H-H2O]+ 222.09910 143.6
[M+HCOO]- 284.10004 168.4
[M+CH3COO]- 298.11569 187.0
[M+Na-2H]- 260.07651 155.9
[M]+ 239.10129 151.3
[M]- 239.10239 151.3
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.