CID 5272060

Chembl332399

Structural Information

Molecular Formula
C20H30NO5P
SMILES
CCCCCCCCCP(=O)(OCC)OCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C20H30NO5P/c1-3-5-6-7-8-9-12-15-27(24,25-4-2)26-16-21-19(22)17-13-10-11-14-18(17)20(21)23/h10-11,13-14H,3-9,12,15-16H2,1-2H3
InChIKey
COJDHUOVUZNXTR-UHFFFAOYSA-N
Compound name
2-[[ethoxy(nonyl)phosphoryl]oxymethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

395.18616 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19344 198.2
[M+Na]+ 418.17538 203.4
[M-H]- 394.17888 199.0
[M+NH4]+ 413.21998 211.6
[M+K]+ 434.14932 200.2
[M+H-H2O]+ 378.18342 188.3
[M+HCOO]- 440.18436 221.7
[M+CH3COO]- 454.20001 223.2
[M+Na-2H]- 416.16083 196.1
[M]+ 395.18561 207.3
[M]- 395.18671 207.3
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.