CID 71806

Amphotalide

Structural Information

Molecular Formula
C19H20N2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCOC3=CC=C(C=C3)N
InChI
InChI=1S/C19H20N2O3/c20-14-8-10-15(11-9-14)24-13-5-1-4-12-21-18(22)16-6-2-3-7-17(16)19(21)23/h2-3,6-11H,1,4-5,12-13,20H2
InChIKey
GIIGAFADHXYOPM-UHFFFAOYSA-N
Compound name
2-[5-(4-aminophenoxy)pentyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

278
Patents

324.1474 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.154676 176.4
[M+Na]+ 347.136618 184.0
[M-H]- 323.140124 182.2
[M+NH4]+ 342.181223 191.5
[M+K]+ 363.110558 178.7
[M+H-H2O]+ 307.144660 167.8
[M+HCOO]- 369.145601 198.2
[M+CH3COO]- 383.161251 211.1
[M+Na-2H]- 345.122066 178.0
[M]+ 324.14685142 178.5
[M]- 324.14794858 178.5
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