CID 5278548

Nsc816902

Structural Information

Molecular Formula
C14H23N7O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CCCN)N)O)O)N
InChI
InChI=1S/C14H23N7O3/c15-3-1-2-7(16)4-8-10(22)11(23)14(24-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,1-4,15-16H2,(H2,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
InChIKey
IRPVYKULMDQOJU-TWBCTODHSA-N
Compound name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(2S)-2,5-diaminopentyl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

337.18625 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19353 177.0
[M+Na]+ 360.17547 183.9
[M-H]- 336.17897 178.0
[M+NH4]+ 355.22007 186.1
[M+K]+ 376.14941 180.5
[M+H-H2O]+ 320.18351 168.1
[M+HCOO]- 382.18445 193.0
[M+CH3COO]- 396.20010 214.4
[M+Na-2H]- 358.16092 176.1
[M]+ 337.18570 175.2
[M]- 337.18680 175.2
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.