CID 452094

122970-31-4

Structural Information

Molecular Formula
C12H17N5O2
SMILES
CCC1=NC(=C2C(=N1)N(C=N2)[C@H]3CC[C@H](O3)CO)N
InChI
InChI=1S/C12H17N5O2/c1-2-8-15-11(13)10-12(16-8)17(6-14-10)9-4-3-7(5-18)19-9/h6-7,9,18H,2-5H2,1H3,(H2,13,15,16)/t7-,9+/m0/s1
InChIKey
OZAGYDCENWIMHB-IONNQARKSA-N
Compound name
[(2S,5R)-5-(6-amino-2-ethylpurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.1382 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14548 159.7
[M+Na]+ 286.12742 169.6
[M-H]- 262.13092 162.2
[M+NH4]+ 281.17202 173.5
[M+K]+ 302.10136 166.3
[M+H-H2O]+ 246.13546 151.1
[M+HCOO]- 308.13640 177.7
[M+CH3COO]- 322.15205 171.0
[M+Na-2H]- 284.11287 161.6
[M]+ 263.13765 160.8
[M]- 263.13875 160.8
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.