CID 5743118

[(1s,4r)-4-(6-aminopurin-9-yl)-2-methyl-1-phenyl-cyclopent-2-en-1-yl]methanol

Structural Information

Molecular Formula
C18H19N5O
SMILES
CC1=C[C@@H](C[C@@]1(CO)C2=CC=CC=C2)N3C=NC4=C(N=CN=C43)N
InChI
InChI=1S/C18H19N5O/c1-12-7-14(8-18(12,9-24)13-5-3-2-4-6-13)23-11-22-15-16(19)20-10-21-17(15)23/h2-7,10-11,14,24H,8-9H2,1H3,(H2,19,20,21)/t14-,18-/m0/s1
InChIKey
DZZWTQOYBRQCTP-KSSFIOAISA-N
Compound name
[(1S,4R)-4-(6-aminopurin-9-yl)-2-methyl-1-phenylcyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.15897 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16625 173.9
[M+Na]+ 344.14819 184.6
[M-H]- 320.15169 179.6
[M+NH4]+ 339.19279 188.4
[M+K]+ 360.12213 177.9
[M+H-H2O]+ 304.15623 163.9
[M+HCOO]- 366.15717 193.7
[M+CH3COO]- 380.17282 184.8
[M+Na-2H]- 342.13364 176.8
[M]+ 321.15842 174.4
[M]- 321.15952 174.4
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.