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]+ 353.18596 185.8
[M+Na]+ 375.16790 193.5
[M-H]- 351.17140 191.7
[M+NH4]+ 370.21250 200.1
[M+K]+ 391.14184 187.8
[M+H-H2O]+ 335.17594 177.1
[M+HCOO]- 397.17688 206.9
[M+CH3COO]- 411.19253 218.3
[M+Na-2H]- 373.15335 185.6
[M]+ 352.17813 189.1
[M]- 352.17923 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.