CID 5272063

Chembl418868

Structural Information

Molecular Formula
C16H22NO5P
SMILES
CCCCCCP(=O)(O)OCCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C16H22NO5P/c1-2-3-4-7-12-23(20,21)22-11-10-17-15(18)13-8-5-6-9-14(13)16(17)19/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,20,21)
InChIKey
JZPUNDIMGGPQBK-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)ethoxy-hexylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.12357 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13085 180.2
[M+Na]+ 362.11279 186.7
[M-H]- 338.11629 180.3
[M+NH4]+ 357.15739 195.1
[M+K]+ 378.08673 183.6
[M+H-H2O]+ 322.12083 171.3
[M+HCOO]- 384.12177 203.5
[M+CH3COO]- 398.13742 208.9
[M+Na-2H]- 360.09824 179.7
[M]+ 339.12302 186.0
[M]- 339.12412 186.0
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.