CID 5272057

Chembl333877

Structural Information

Molecular Formula
C15H20NO5P
SMILES
CCCCP(=O)(OCC)OCN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C15H20NO5P/c1-3-5-10-22(19,20-4-2)21-11-16-14(17)12-8-6-7-9-13(12)15(16)18/h6-9H,3-5,10-11H2,1-2H3
InChIKey
JMQOJQMTPIKLQW-UHFFFAOYSA-N
Compound name
2-[[butyl(ethoxy)phosphoryl]oxymethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

325.1079 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11518 174.5
[M+Na]+ 348.09712 182.0
[M-H]- 324.10062 176.3
[M+NH4]+ 343.14172 190.8
[M+K]+ 364.07106 179.9
[M+H-H2O]+ 308.10516 165.6
[M+HCOO]- 370.10610 199.8
[M+CH3COO]- 384.12175 208.4
[M+Na-2H]- 346.08257 175.0
[M]+ 325.10735 182.0
[M]- 325.10845 182.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.