CID 5279606

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

Structural Information

Molecular Formula
C16H17N5O
SMILES
C1[C@@H]([C@]1(CO)C2=CC=CC=C2)CN3C=NC4=C(N=CN=C43)N
InChI
InChI=1S/C16H17N5O/c17-14-13-15(19-9-18-14)21(10-20-13)7-12-6-16(12,8-22)11-4-2-1-3-5-11/h1-5,9-10,12,22H,6-8H2,(H2,17,18,19)/t12-,16-/m1/s1
InChIKey
UQRIIBHPCBVUDW-MLGOLLRUSA-N
Compound name
[(1S,2S)-2-[(6-aminopurin-9-yl)methyl]-1-phenylcyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.1433 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.15058 175.5
[M+Na]+ 318.13252 187.7
[M-H]- 294.13602 180.6
[M+NH4]+ 313.17712 184.4
[M+K]+ 334.10646 180.0
[M+H-H2O]+ 278.14056 166.2
[M+HCOO]- 340.14150 195.3
[M+CH3COO]- 354.15715 185.7
[M+Na-2H]- 316.11797 181.0
[M]+ 295.14275 178.5
[M]- 295.14385 178.5
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

No patent data available for this compound.