CID 15953948

Schembl8444468

Structural Information

Molecular Formula
C15H20N6O
SMILES
CN(C1CC1)C2=NC(=NC3=C2N=CN3[C@@H]4C[C@@H](C=C4)CO)N
InChI
InChI=1S/C15H20N6O/c1-20(10-4-5-10)13-12-14(19-15(16)18-13)21(8-17-12)11-3-2-9(6-11)7-22/h2-3,8-11,22H,4-7H2,1H3,(H2,16,18,19)/t9-,11+/m1/s1
InChIKey
FMLMTYBTMIUSET-KOLCDFICSA-N
Compound name
[(1S,4R)-4-[2-amino-6-[cyclopropyl(methyl)amino]purin-9-yl]cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

300.16986 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17714 172.9
[M+Na]+ 323.15908 183.5
[M-H]- 299.16258 179.6
[M+NH4]+ 318.20368 182.1
[M+K]+ 339.13302 176.7
[M+H-H2O]+ 283.16712 164.1
[M+HCOO]- 345.16806 194.0
[M+CH3COO]- 359.18371 183.3
[M+Na-2H]- 321.14453 174.0
[M]+ 300.16931 175.9
[M]- 300.17041 175.9
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