CID 203070

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

Structural Information

Molecular Formula
C19H19ClN2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCOC3=C(C=C(C=C3)N)Cl
InChI
InChI=1S/C19H19ClN2O3/c20-16-12-13(21)8-9-17(16)25-11-5-1-4-10-22-18(23)14-6-2-3-7-15(14)19(22)24/h2-3,6-9,12H,1,4-5,10-11,21H2
InChIKey
BFWZNCMTRCANPQ-UHFFFAOYSA-N
Compound name
2-[5-(4-amino-2-chlorophenoxy)pentyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.10843 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11571 184.6
[M+Na]+ 381.09765 193.9
[M-H]- 357.10115 190.6
[M+NH4]+ 376.14225 199.5
[M+K]+ 397.07159 187.0
[M+H-H2O]+ 341.10569 176.7
[M+HCOO]- 403.10663 201.7
[M+CH3COO]- 417.12228 215.9
[M+Na-2H]- 379.08310 184.9
[M]+ 358.10788 189.4
[M]- 358.10898 189.4
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.