CID 3067214

80860-79-3

Structural Information

Molecular Formula
C15H23N7O5
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCCCC(C(=O)O)N)O)O)N
InChI
InChI=1S/C15H23N7O5/c16-7(15(25)26)2-1-3-18-4-8-10(23)11(24)14(27-8)22-6-21-9-12(17)19-5-20-13(9)22/h5-8,10-11,14,18,23-24H,1-4,16H2,(H,25,26)(H2,17,19,20)/t7?,8-,10-,11-,14-/m1/s1
InChIKey
JMMJTXDZHSZYCK-HVMNINKTSA-N
Compound name
2-amino-5-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.17606 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.183336 184.5
[M+Na]+ 404.165278 189.6
[M-H]- 380.168784 184.6
[M+NH4]+ 399.209883 190.8
[M+K]+ 420.139218 187.3
[M+H-H2O]+ 364.173320 175.7
[M+HCOO]- 426.174261 198.7
[M+CH3COO]- 440.189911 221.1
[M+Na-2H]- 402.150726 183.2
[M]+ 381.17551142 183.5
[M]- 381.17660858 183.5
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.