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 186.9
[M+Na]+ 442.07345 191.6
[M-H]- 418.07695 185.2
[M+NH4]+ 437.11805 191.5
[M+K]+ 458.04739 193.0
[M+H-H2O]+ 402.08149 177.4
[M+HCOO]- 464.08243 202.4
[M+CH3COO]- 478.09808 218.3
[M+Na-2H]- 440.05890 184.6
[M]+ 419.08368 189.7
[M]- 419.08478 189.7
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.