CID 24892761

Dtxsid701344032

Structural Information

Molecular Formula
C15H23N6O5Se
SMILES
C[Se+](CCC(C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C15H22N6O5Se/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7?,8-,10-,11-,14-,27?/m1/s1
InChIKey
GGJFWMOVUFBSIN-YDBXVIPQSA-O
Compound name
(3-amino-3-carboxypropyl)-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylselanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

447.0895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.09678 197.9
[M+Na]+ 470.07872 202.3
[M-H]- 446.08222 197.7
[M+NH4]+ 465.12332 203.6
[M+K]+ 486.05266 194.3
[M+H-H2O]+ 430.08676 191.6
[M+HCOO]- 492.08770 208.8
[M+CH3COO]- 506.10335 213.6
[M+Na-2H]- 468.06417 196.3
[M]+ 447.08895 195.8
[M]- 447.09005 195.8
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.