CID 451711

2'-pyrrolidino-dda

Structural Information

Molecular Formula
C14H20N6O2
SMILES
C1CCN(C1)[C@@H]2C[C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)CO
InChI
InChI=1S/C14H20N6O2/c15-12-11-13(17-7-16-12)20(8-18-11)14-10(5-9(6-21)22-14)19-3-1-2-4-19/h7-10,14,21H,1-6H2,(H2,15,16,17)/t9-,10+,14+/m0/s1
InChIKey
ABCVSSOLTYBPCQ-IMSIIYSGSA-N
Compound name
[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-pyrrolidin-1-yloxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.16476 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17204 167.7
[M+Na]+ 327.15398 175.5
[M-H]- 303.15748 172.2
[M+NH4]+ 322.19858 179.6
[M+K]+ 343.12792 172.4
[M+H-H2O]+ 287.16202 158.2
[M+HCOO]- 349.16296 183.1
[M+CH3COO]- 363.17861 177.5
[M+Na-2H]- 325.13943 165.5
[M]+ 304.16421 165.8
[M]- 304.16531 165.8
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.