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

4
Patents

338.16306 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.170336 181.3
[M+Na]+ 361.152278 189.4
[M-H]- 337.155784 187.3
[M+NH4]+ 356.196883 196.2
[M+K]+ 377.126218 183.9
[M+H-H2O]+ 321.160320 172.8
[M+HCOO]- 383.161261 202.7
[M+CH3COO]- 397.176911 215.3
[M+Na-2H]- 359.137726 181.6
[M]+ 338.16251142 184.2
[M]- 338.16360858 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