CID 201392

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

Structural Information

Molecular Formula
C20H22N2O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCOC3=C(C=C(C=C3)N)CO
InChI
InChI=1S/C20H22N2O4/c21-15-8-9-18(14(12-15)13-23)26-11-5-1-4-10-22-19(24)16-6-2-3-7-17(16)20(22)25/h2-3,6-9,12,23H,1,4-5,10-11,13,21H2
InChIKey
PVMHHJDMWPZFBU-UHFFFAOYSA-N
Compound name
2-[5-[4-amino-2-(hydroxymethyl)phenoxy]pentyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.15796 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 185.6
[M+Na]+ 377.14718 196.9
[M+NH4]+ 372.19178 191.4
[M+K]+ 393.12112 191.9
[M-H]- 353.15068 188.0
[M+Na-2H]- 375.13263 189.3
[M]+ 354.15741 187.6
[M]- 354.15851 187.6
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.