CID 943366

Phthalimide, n-(2-(p-aminophenoxy)ethyl)-, methanesulfonate

Structural Information

Molecular Formula
C16H14N2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC3=CC=C(C=C3)N
InChI
InChI=1S/C16H14N2O3/c17-11-5-7-12(8-6-11)21-10-9-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10,17H2
InChIKey
MWIHYGXYALYNNF-UHFFFAOYSA-N
Compound name
2-[2-(4-aminophenoxy)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

282.10043 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 162.7
[M+Na]+ 305.08965 171.8
[M-H]- 281.09315 169.2
[M+NH4]+ 300.13425 179.6
[M+K]+ 321.06359 167.1
[M+H-H2O]+ 265.09769 154.7
[M+HCOO]- 327.09863 185.6
[M+CH3COO]- 341.11428 202.2
[M+Na-2H]- 303.07510 165.9
[M]+ 282.09988 163.9
[M]- 282.10098 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe