CID 10355487

Metacavir

Structural Information

Molecular Formula
C11H15N5O3
SMILES
COC1=NC(=NC2=C1N=CN2[C@H]3CC[C@H](O3)CO)N
InChI
InChI=1S/C11H15N5O3/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)7-3-2-6(4-17)19-7/h5-7,17H,2-4H2,1H3,(H2,12,14,15)/t6-,7+/m0/s1
InChIKey
FJAOCNGVPLTSLD-NKWVEPMBSA-N
Compound name
[(2S,5R)-5-(2-amino-6-methoxypurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

924
Patents

265.1175 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 157.4
[M+Na]+ 288.10672 167.4
[M-H]- 264.11022 160.1
[M+NH4]+ 283.15132 171.0
[M+K]+ 304.08066 165.0
[M+H-H2O]+ 248.11476 148.8
[M+HCOO]- 310.11570 175.9
[M+CH3COO]- 324.13135 169.0
[M+Na-2H]- 286.09217 160.0
[M]+ 265.11695 159.5
[M]- 265.11805 159.5
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