CID 215494

Brn 0632124

Structural Information

Molecular Formula
C14H21N7O4
SMILES
CN(C)CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C14H21N7O4/c1-20(2)4-3-16-13(24)10-8(22)9(23)14(25-10)21-6-19-7-11(15)17-5-18-12(7)21/h5-6,8-10,14,22-23H,3-4H2,1-2H3,(H,16,24)(H2,15,17,18)/t8-,9+,10-,14+/m0/s1
InChIKey
WEUJLXAEIWOAFC-AEISUSGSSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-[2-(dimethylamino)ethyl]-3,4-dihydroxyoxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1655 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17278 179.7
[M+Na]+ 374.15472 186.7
[M-H]- 350.15822 183.0
[M+NH4]+ 369.19932 189.1
[M+K]+ 390.12866 185.3
[M+H-H2O]+ 334.16276 170.7
[M+HCOO]- 396.16370 197.7
[M+CH3COO]- 410.17935 219.2
[M+Na-2H]- 372.14017 180.1
[M]+ 351.16495 181.4
[M]- 351.16605 181.4
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.