CID 98567

5'-n-methylcarboxamidoadenosine

Structural Information

Molecular Formula
C11H14N6O4
SMILES
CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1
InChIKey
PLYRYAHDNXANEG-QMWPFBOUSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

41
References

1096
Patents

294.10767 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11495 164.3
[M+Na]+ 317.09689 172.9
[M+NH4]+ 312.14149 167.9
[M+K]+ 333.07083 175.6
[M-H]- 293.10039 164.9
[M+Na-2H]- 315.08234 165.5
[M]+ 294.10712 165.0
[M]- 294.10822 165.0
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