CID 201391

Phthalimide, n-(5-(4-amino-o-tolyloxy)pentyl)-

Structural Information

Molecular Formula
C20H22N2O3
SMILES
CC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C20H22N2O3/c1-14-13-15(21)9-10-18(14)25-12-6-2-5-11-22-19(23)16-7-3-4-8-17(16)20(22)24/h3-4,7-10,13H,2,5-6,11-12,21H2,1H3
InChIKey
FYMHBGXHCYCLJU-UHFFFAOYSA-N
Compound name
2-[5-(4-amino-2-methylphenoxy)pentyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.16306 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 181.3
[M+Na]+ 361.15228 189.4
[M-H]- 337.15578 187.3
[M+NH4]+ 356.19688 196.2
[M+K]+ 377.12622 183.9
[M+H-H2O]+ 321.16032 172.8
[M+HCOO]- 383.16126 202.7
[M+CH3COO]- 397.17691 215.3
[M+Na-2H]- 359.13773 181.6
[M]+ 338.16251 184.2
[M]- 338.16361 184.2
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

patents stripe