CID 3079446

N-(3-phenyl-2-isoxazolin-5-yl(p-methyl)phosphinoyl)glycine benzyl ester

Structural Information

Molecular Formula
C19H21N2O4P
SMILES
CP(=O)(C1CC(=NO1)C2=CC=CC=C2)NCC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C19H21N2O4P/c1-26(23,19-12-17(21-25-19)16-10-6-3-7-11-16)20-13-18(22)24-14-15-8-4-2-5-9-15/h2-11,19H,12-14H2,1H3,(H,20,23)
InChIKey
UVWUIWIHUXVNIK-UHFFFAOYSA-N
Compound name
benzyl 2-[[methyl-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphoryl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

372.1239 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13118 188.0
[M+Na]+ 395.11312 191.7
[M-H]- 371.11662 195.2
[M+NH4]+ 390.15772 198.2
[M+K]+ 411.08706 189.8
[M+H-H2O]+ 355.12116 176.0
[M+HCOO]- 417.12210 213.4
[M+CH3COO]- 431.13775 216.1
[M+Na-2H]- 393.09857 188.5
[M]+ 372.12335 189.7
[M]- 372.12445 189.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe