CID 5272059

Chembl118252

Structural Information

Molecular Formula
C18H26NO5P
SMILES
CCCCCCCP(=O)(OCC)OCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C18H26NO5P/c1-3-5-6-7-10-13-25(22,23-4-2)24-14-19-17(20)15-11-8-9-12-16(15)18(19)21/h8-9,11-12H,3-7,10,13-14H2,1-2H3
InChIKey
YKHVVESVXSDNIU-UHFFFAOYSA-N
Compound name
2-[[ethoxy(heptyl)phosphoryl]oxymethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

367.15485 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.16213 188.8
[M+Na]+ 390.14407 194.9
[M-H]- 366.14757 190.0
[M+NH4]+ 385.18867 203.3
[M+K]+ 406.11801 192.1
[M+H-H2O]+ 350.15211 179.3
[M+HCOO]- 412.15305 213.0
[M+CH3COO]- 426.16870 217.3
[M+Na-2H]- 388.12952 187.7
[M]+ 367.15430 197.2
[M]- 367.15540 197.2
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.