CID 97692

Adenosine 5'-carboxamide

Structural Information

Molecular Formula
C10H12N6O4
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)N)O)O)N
InChI
InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1
InChIKey
BLMHAOGGJQDPLX-LKCKTBJASA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

39
Patents

280.092 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09928 159.6
[M+Na]+ 303.08122 169.3
[M-H]- 279.08472 161.6
[M+NH4]+ 298.12582 171.3
[M+K]+ 319.05516 166.7
[M+H-H2O]+ 263.08926 151.7
[M+HCOO]- 325.09020 176.8
[M+CH3COO]- 339.10585 170.3
[M+Na-2H]- 301.06667 160.6
[M]+ 280.09145 158.7
[M]- 280.09255 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe