CID 118797934

3'-l-prolyl-amp(1-)

Structural Information

Molecular Formula
C15H21N6O8P
SMILES
C1C[C@H](NC1)C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C(N=CN=C43)N)COP(=O)(O)O
InChI
InChI=1S/C15H21N6O8P/c16-12-9-13(19-5-18-12)21(6-20-9)14-10(22)11(8(28-14)4-27-30(24,25)26)29-15(23)7-2-1-3-17-7/h5-8,10-11,14,17,22H,1-4H2,(H2,16,18,19)(H2,24,25,26)/t7-,8+,10+,11+,14+/m0/s1
InChIKey
VSRPBSCQACUDPU-TWBCTODHSA-N
Compound name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] (2S)-pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.11584 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.12312 190.6
[M+Na]+ 467.10506 193.4
[M-H]- 443.10856 191.0
[M+NH4]+ 462.14966 194.3
[M+K]+ 483.07900 194.0
[M+H-H2O]+ 427.11310 180.9
[M+HCOO]- 489.11404 204.1
[M+CH3COO]- 503.12969 220.9
[M+Na-2H]- 465.09051 185.7
[M]+ 444.11529 189.3
[M]- 444.11639 189.3
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.