CID 445005

D-pyridoxyl-n,o-cycloserylamide-5-monophosphate

Structural Information

Molecular Formula
C11H16N3O7P
SMILES
CC1=NC=C(C(=C1O)CN[C@@H]2CONC2=O)COP(=O)(O)O
InChI
InChI=1S/C11H16N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,9,13,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/t9-/m1/s1
InChIKey
NNRZSZJOQKAGTO-SECBINFHSA-N
Compound name
[5-hydroxy-6-methyl-4-[[[(4R)-3-oxo-1,2-oxazolidin-4-yl]amino]methyl]pyridin-3-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

333.0726 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.07988 172.4
[M+Na]+ 356.06182 177.5
[M-H]- 332.06532 171.0
[M+NH4]+ 351.10642 180.9
[M+K]+ 372.03576 176.2
[M+H-H2O]+ 316.06986 162.6
[M+HCOO]- 378.07080 191.8
[M+CH3COO]- 392.08645 201.3
[M+Na-2H]- 354.04727 172.4
[M]+ 333.07205 172.0
[M]- 333.07315 172.0
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