CID 469082

[(1r,5r)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclohex-3-en-1-yl]methanol

Structural Information

Molecular Formula
C15H20N6O
SMILES
C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](CC=C4)CO
InChI
InChI=1S/C15H20N6O/c16-15-19-13(18-10-4-5-10)12-14(20-15)21(8-17-12)11-3-1-2-9(6-11)7-22/h1,3,8-11,22H,2,4-7H2,(H3,16,18,19,20)/t9-,11+/m1/s1
InChIKey
GAIKZSGOQWOVGX-KOLCDFICSA-N
Compound name
[(1R,5R)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclohex-3-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.16986 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17714 174.6
[M+Na]+ 323.15908 184.6
[M-H]- 299.16258 179.2
[M+NH4]+ 318.20368 181.3
[M+K]+ 339.13302 176.3
[M+H-H2O]+ 283.16712 165.1
[M+HCOO]- 345.16806 193.2
[M+CH3COO]- 359.18371 183.7
[M+Na-2H]- 321.14453 178.1
[M]+ 300.16931 174.3
[M]- 300.17041 174.3
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.