CID 35736

Dtxsid50865585

Structural Information

Molecular Formula
C15H24NO5P
SMILES
CCOP(=O)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C
InChI
InChI=1S/C15H24NO5P/c1-6-19-22(18,16-11(2)3)21-14-10-8-7-9-13(14)15(17)20-12(4)5/h7-12H,6H2,1-5H3,(H,16,18)
InChIKey
DZUPKTNAUCDVTL-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphoryl]oxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

329.13922 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14650 178.5
[M+Na]+ 352.12844 182.5
[M-H]- 328.13194 180.4
[M+NH4]+ 347.17304 192.5
[M+K]+ 368.10238 182.9
[M+H-H2O]+ 312.13648 169.2
[M+HCOO]- 374.13742 204.1
[M+CH3COO]- 388.15307 213.2
[M+Na-2H]- 350.11389 177.1
[M]+ 329.13867 184.9
[M]- 329.13977 184.9
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