CID 54694212

Chembl67953

Structural Information

Molecular Formula
C14H24NO6P
SMILES
CC(C)OP(=O)(COCCN1C=CC(=CC1=O)O)OC(C)C
InChI
InChI=1S/C14H24NO6P/c1-11(2)20-22(18,21-12(3)4)10-19-8-7-15-6-5-13(16)9-14(15)17/h5-6,9,11-12,16H,7-8,10H2,1-4H3
InChIKey
AHTOWDWRGHWHHB-UHFFFAOYSA-N
Compound name
1-[2-[di(propan-2-yloxy)phosphorylmethoxy]ethyl]-4-hydroxypyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.13412 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14140 176.6
[M+Na]+ 356.12334 182.3
[M-H]- 332.12684 176.2
[M+NH4]+ 351.16794 189.0
[M+K]+ 372.09728 182.1
[M+H-H2O]+ 316.13138 167.1
[M+HCOO]- 378.13232 199.8
[M+CH3COO]- 392.14797 208.6
[M+Na-2H]- 354.10879 175.7
[M]+ 333.13357 184.5
[M]- 333.13467 184.5
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.