CID 135659055

Plpgh

Structural Information

Molecular Formula
C13H19N4O8P
SMILES
CC1=NC=C(C(=C1O)/C=N/NC(=O)CC[C@@H](C(=O)O)N)COP(=O)(O)O
InChI
InChI=1S/C13H19N4O8P/c1-7-12(19)9(8(4-15-7)6-25-26(22,23)24)5-16-17-11(18)3-2-10(14)13(20)21/h4-5,10,19H,2-3,6,14H2,1H3,(H,17,18)(H,20,21)(H2,22,23,24)/b16-5+/t10-/m0/s1
InChIKey
NAWSLINTBVUWDC-VIMFPOPESA-N
Compound name
(2S)-2-amino-5-[(2E)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

390.09406 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.10134 185.4
[M+Na]+ 413.08328 187.4
[M+NH4]+ 408.12788 184.2
[M+K]+ 429.05722 189.9
[M-H]- 389.08678 180.0
[M+Na-2H]- 411.06873 182.5
[M]+ 390.09351 182.8
[M]- 390.09461 182.8
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

No patent data available for this compound.