CID 5272064

Chembl326268

Structural Information

Molecular Formula
C17H24NO5P
SMILES
CCCCCCCP(=O)(O)OCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C17H24NO5P/c1-2-3-4-5-8-13-24(21,22)23-12-11-18-16(19)14-9-6-7-10-15(14)17(18)20/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,21,22)
InChIKey
AOWXKISLZIDWND-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)ethoxy-heptylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.13922 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14650 184.9
[M+Na]+ 376.12844 191.0
[M-H]- 352.13194 184.9
[M+NH4]+ 371.17304 199.2
[M+K]+ 392.10238 187.6
[M+H-H2O]+ 336.13648 175.8
[M+HCOO]- 398.13742 207.9
[M+CH3COO]- 412.15307 211.9
[M+Na-2H]- 374.11389 183.8
[M]+ 353.13867 191.0
[M]- 353.13977 191.0
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.