CID 15953949

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

Structural Information

Molecular Formula
C14H18N6O
SMILES
C1CN(C1)C2=NC(=NC3=C2N=CN3[C@@H]4C[C@@H](C=C4)CO)N
InChI
InChI=1S/C14H18N6O/c15-14-17-12(19-4-1-5-19)11-13(18-14)20(8-16-11)10-3-2-9(6-10)7-21/h2-3,8-10,21H,1,4-7H2,(H2,15,17,18)/t9-,10+/m1/s1
InChIKey
ARAIATBRBSWLHC-ZJUUUORDSA-N
Compound name
[(1S,4R)-4-[2-amino-6-(azetidin-1-yl)purin-9-yl]cyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

286.1542 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.16148 164.2
[M+Na]+ 309.14342 171.9
[M-H]- 285.14692 167.6
[M+NH4]+ 304.18802 170.4
[M+K]+ 325.11736 169.8
[M+H-H2O]+ 269.15146 148.9
[M+HCOO]- 331.15240 180.5
[M+CH3COO]- 345.16805 173.8
[M+Na-2H]- 307.12887 164.8
[M]+ 286.15365 171.4
[M]- 286.15475 171.4
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

patents stripe