CID 5289403

(l-seryl)adenylate

Structural Information

Molecular Formula
C13H19N6O9P
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)[C@H](CO)N)O)O)N
InChI
InChI=1S/C13H19N6O9P/c14-5(1-20)13(23)28-29(24,25)26-2-6-8(21)9(22)12(27-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-22H,1-2,14H2,(H,24,25)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1
InChIKey
UVSYURUCZPPUQD-MACXSXHHSA-N
Compound name
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

56
Patents

434.09512 Da
Monoisotopic Mass

-6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.10240 190.8
[M+Na]+ 457.08434 193.3
[M+NH4]+ 452.12894 189.2
[M+K]+ 473.05828 201.9
[M-H]- 433.08784 186.7
[M+Na-2H]- 455.06979 187.0
[M]+ 434.09457 188.7
[M]- 434.09567 188.7
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