CID 468288

[(1s,4r)-4-(2-amino-6-methoxy-purin-9-yl)cyclopent-2-en-1-yl]methanol

Structural Information

Molecular Formula
C12H15N5O2
SMILES
COC1=NC(=NC2=C1N=CN2[C@@H]3C[C@@H](C=C3)CO)N
InChI
InChI=1S/C12H15N5O2/c1-19-11-9-10(15-12(13)16-11)17(6-14-9)8-3-2-7(4-8)5-18/h2-3,6-8,18H,4-5H2,1H3,(H2,13,15,16)/t7-,8+/m1/s1
InChIKey
ZSQCEXQMPFJFDZ-SFYZADRCSA-N
Compound name
[(1S,4R)-4-(2-amino-6-methoxypurin-9-yl)cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

261.1226 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12988 157.2
[M+Na]+ 284.11182 167.9
[M-H]- 260.11532 159.6
[M+NH4]+ 279.15642 172.5
[M+K]+ 300.08576 163.7
[M+H-H2O]+ 244.11986 148.4
[M+HCOO]- 306.12080 177.7
[M+CH3COO]- 320.13645 169.0
[M+Na-2H]- 282.09727 160.0
[M]+ 261.12205 159.1
[M]- 261.12315 159.1
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