CID 135530051

8-hydroxyacyclovir

Structural Information

Molecular Formula
C8H11N5O4
SMILES
C(COCN1C2=C(C(=O)NC(=N2)N)NC1=O)O
InChI
InChI=1S/C8H11N5O4/c9-7-11-5-4(6(15)12-7)10-8(16)13(5)3-17-2-1-14/h14H,1-3H2,(H,10,16)(H3,9,11,12,15)
InChIKey
PTSDSAPWOJZBNX-UHFFFAOYSA-N
Compound name
2-amino-9-(2-hydroxyethoxymethyl)-1,7-dihydropurine-6,8-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

11
Patents

241.0811 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.088376 149.3
[M+Na]+ 264.070318 161.0
[M-H]- 240.073824 146.0
[M+NH4]+ 259.114923 162.3
[M+K]+ 280.044258 155.9
[M+H-H2O]+ 224.078360 141.7
[M+HCOO]- 286.079301 167.9
[M+CH3COO]- 300.094951 186.1
[M+Na-2H]- 262.055766 154.7
[M]+ 241.08055142 150.5
[M]- 241.08164858 150.5
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