CID 496052

Nsc677607

Structural Information

Molecular Formula
C14H20N6O5
SMILES
CCNC(=O)CC1=NC2=C(N=CN=C2N1C3[C@@H]([C@H]([C@H](O3)CO)O)O)N
InChI
InChI=1S/C14H20N6O5/c1-2-16-8(22)3-7-19-9-12(15)17-5-18-13(9)20(7)14-11(24)10(23)6(4-21)25-14/h5-6,10-11,14,21,23-24H,2-4H2,1H3,(H,16,22)(H2,15,17,18)/t6-,10+,11-,14?/m1/s1
InChIKey
AUKMLEBKRXPQHP-OTRQJZJESA-N
Compound name
2-[6-amino-9-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1495 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.15678 180.3
[M+Na]+ 375.13872 188.2
[M-H]- 351.14222 181.2
[M+NH4]+ 370.18332 188.9
[M+K]+ 391.11266 185.3
[M+H-H2O]+ 335.14676 172.2
[M+HCOO]- 397.14770 195.3
[M+CH3COO]- 411.16335 212.6
[M+Na-2H]- 373.12417 179.5
[M]+ 352.14895 181.5
[M]- 352.15005 181.5
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.