CID 171666186

(s)-lactoyl-amp

Structural Information

Molecular Formula
C13H18N5O9P
SMILES
C[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)O
InChI
InChI=1S/C13H18N5O9P/c1-5(19)13(22)27-28(23,24)25-2-6-8(20)9(21)12(26-6)18-4-17-7-10(14)15-3-16-11(7)18/h3-6,8-9,12,19-21H,2H2,1H3,(H,23,24)(H2,14,15,16)/t5-,6+,8+,9+,12+/m0/s1
InChIKey
WJDXIAHYAHWJLH-MACXSXHHSA-N
Compound name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.08423 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.09151 188.0
[M+Na]+ 442.07345 192.1
[M+NH4]+ 437.11805 187.0
[M+K]+ 458.04739 199.9
[M-H]- 418.07695 183.7
[M+Na-2H]- 440.05890 184.8
[M]+ 419.08368 186.2
[M]- 419.08478 186.2
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.