CID 16076846

[(1s,2r)-2-(6-aminopurin-9-yl)-2-phenyl-cyclopropyl]methanol

Structural Information

Molecular Formula
C15H15N5O
SMILES
C1[C@@H]([C@]1(C2=CC=CC=C2)N3C=NC4=C(N=CN=C43)N)CO
InChI
InChI=1S/C15H15N5O/c16-13-12-14(18-8-17-13)20(9-19-12)15(6-11(15)7-21)10-4-2-1-3-5-10/h1-5,8-9,11,21H,6-7H2,(H2,16,17,18)/t11-,15+/m1/s1
InChIKey
YULKNPXXLXIWSI-ABAIWWIYSA-N
Compound name
[(1S,2R)-2-(6-aminopurin-9-yl)-2-phenylcyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.12766 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13494 171.6
[M+Na]+ 304.11688 184.3
[M-H]- 280.12038 176.8
[M+NH4]+ 299.16148 181.1
[M+K]+ 320.09082 176.8
[M+H-H2O]+ 264.12492 162.5
[M+HCOO]- 326.12586 191.7
[M+CH3COO]- 340.14151 182.2
[M+Na-2H]- 302.10233 177.6
[M]+ 281.12711 174.3
[M]- 281.12821 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.