CID 440142

Adenosine 5'-phosphoramidate(1-)

Structural Information

Molecular Formula
C10H15N6O6P
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N)O)O)O)N
InChI
InChI=1S/C10H15N6O6P/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H3,12,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
LDEMREUBLBGZBO-KQYNXXCUSA-N
Compound name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

74
Patents

346.07907 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08635 172.9
[M+Na]+ 369.06829 178.8
[M+NH4]+ 364.11289 174.4
[M+K]+ 385.04223 184.3
[M-H]- 345.07179 171.3
[M+Na-2H]- 367.05374 172.0
[M]+ 346.07852 172.3
[M]- 346.07962 172.3
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