CID 44185378

Compound 13 [pmid: 19456099]

Structural Information

Molecular Formula
C19H24NO5P
SMILES
CC(C)(C(=O)NCCCC1=CC(=CC=C1)OC2=CC=CC=C2)P(=O)(O)O
InChI
InChI=1S/C19H24NO5P/c1-19(2,26(22,23)24)18(21)20-13-7-9-15-8-6-12-17(14-15)25-16-10-4-3-5-11-16/h3-6,8,10-12,14H,7,9,13H2,1-2H3,(H,20,21)(H2,22,23,24)
InChIKey
AGJZDRXKAQZWEP-UHFFFAOYSA-N
Compound name
[2-methyl-1-oxo-1-[3-(3-phenoxyphenyl)propylamino]propan-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

377.13922 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14650 191.3
[M+Na]+ 400.12844 194.4
[M-H]- 376.13194 193.4
[M+NH4]+ 395.17304 201.3
[M+K]+ 416.10238 191.5
[M+H-H2O]+ 360.13648 181.0
[M+HCOO]- 422.13742 214.0
[M+CH3COO]- 436.15307 215.1
[M+Na-2H]- 398.11389 192.8
[M]+ 377.13867 192.8
[M]- 377.13977 192.8
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

patents stripe