CID 5272062

Chembl118269

Structural Information

Molecular Formula
C25H40NO5P
SMILES
CCCCCCCCCCCCCCP(=O)(OCC)OCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C25H40NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-17-20-32(29,30-4-2)31-21-26-24(27)22-18-15-16-19-23(22)25(26)28/h15-16,18-19H,3-14,17,20-21H2,1-2H3
InChIKey
NIIWNDJKPJQHNE-UHFFFAOYSA-N
Compound name
2-[[ethoxy(tetradecyl)phosphoryl]oxymethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

465.2644 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.27168 221.4
[M+Na]+ 488.25362 224.3
[M-H]- 464.25712 221.1
[M+NH4]+ 483.29822 231.7
[M+K]+ 504.22756 219.9
[M+H-H2O]+ 448.26166 210.4
[M+HCOO]- 510.26260 243.0
[M+CH3COO]- 524.27825 237.9
[M+Na-2H]- 486.23907 216.7
[M]+ 465.26385 232.1
[M]- 465.26495 232.1
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.