CID 451774

D2eta

Structural Information

Molecular Formula
C12H17N5O2
SMILES
CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3CC[C@H](O3)CO
InChI
InChI=1S/C12H17N5O2/c1-2-13-11-10-12(15-6-14-11)17(7-16-10)9-4-3-8(5-18)19-9/h6-9,18H,2-5H2,1H3,(H,13,14,15)/t8-,9+/m0/s1
InChIKey
NWYIHZNMQZMTPL-DTWKUNHWSA-N
Compound name
[(2S,5R)-5-[6-(ethylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

263.1382 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14548 158.1
[M+Na]+ 286.12742 167.1
[M-H]- 262.13092 160.7
[M+NH4]+ 281.17202 171.9
[M+K]+ 302.10136 164.2
[M+H-H2O]+ 246.13546 149.1
[M+HCOO]- 308.13640 176.8
[M+CH3COO]- 322.15205 169.4
[M+Na-2H]- 284.11287 161.8
[M]+ 263.13765 159.7
[M]- 263.13875 159.7
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