CID 131704257

(5-hydroxy-6-methyl-4-{[(e)-(3-oxo-1,2-oxazolidin-4-ylidene)amino]methyl}-3-pyridinyl)methyl dihydrogen phosphate

Structural Information

Molecular Formula
C11H14N3O7P
SMILES
CC1=NC=C(C(=C1O)CN=C2CONC2=O)COP(=O)(O)O
InChI
InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)
InChIKey
KFCQHWOGBVCKHR-UHFFFAOYSA-N
Compound name
[5-hydroxy-6-methyl-4-[[(3-oxo-1,2-oxazolidin-4-ylidene)amino]methyl]pyridin-3-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

331.05695 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.06423 170.7
[M+Na]+ 354.04617 176.7
[M-H]- 330.04967 170.8
[M+NH4]+ 349.09077 180.1
[M+K]+ 370.02011 175.6
[M+H-H2O]+ 314.05421 160.9
[M+HCOO]- 376.05515 191.9
[M+CH3COO]- 390.07080 201.9
[M+Na-2H]- 352.03162 171.2
[M]+ 331.05640 171.4
[M]- 331.05750 171.4
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