CID 201323

Phthalimide, n-(5-(4-amino-2-ethylphenoxy)pentyl)-

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CCC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C21H24N2O3/c1-2-15-14-16(22)10-11-19(15)26-13-7-3-6-12-23-20(24)17-8-4-5-9-18(17)21(23)25/h4-5,8-11,14H,2-3,6-7,12-13,22H2,1H3
InChIKey
MQOIUXPSLWAZNN-UHFFFAOYSA-N
Compound name
2-[5-(4-amino-2-ethylphenoxy)pentyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17868 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.185956 185.8
[M+Na]+ 375.167898 193.5
[M-H]- 351.171404 191.7
[M+NH4]+ 370.212503 200.1
[M+K]+ 391.141838 187.8
[M+H-H2O]+ 335.175940 177.1
[M+HCOO]- 397.176881 206.9
[M+CH3COO]- 411.192531 218.3
[M+Na-2H]- 373.153346 185.6
[M]+ 352.17813142 189.1
[M]- 352.17922858 189.1
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.