CID 44185382

Compound 15 [pmid: 19456099]

Structural Information

Molecular Formula
C17H20NO6P
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)CCCC(C(=O)NO)P(=O)(O)O
InChI
InChI=1S/C17H20NO6P/c19-17(18-20)16(25(21,22)23)11-5-7-13-6-4-10-15(12-13)24-14-8-2-1-3-9-14/h1-4,6,8-10,12,16,20H,5,7,11H2,(H,18,19)(H2,21,22,23)
InChIKey
HGDWHTASNMRJMP-UHFFFAOYSA-N
Compound name
[1-(hydroxyamino)-1-oxo-5-(3-phenoxyphenyl)pentan-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1769
Patents

365.1028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11008 184.2
[M+Na]+ 388.09202 186.8
[M-H]- 364.09552 185.0
[M+NH4]+ 383.13662 193.7
[M+K]+ 404.06596 184.3
[M+H-H2O]+ 348.10006 173.8
[M+HCOO]- 410.10100 206.9
[M+CH3COO]- 424.11665 209.6
[M+Na-2H]- 386.07747 184.1
[M]+ 365.10225 184.5
[M]- 365.10335 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

patents stripe