CID 3066693

Phthalimide, n-(3-(p-aminophenoxy)propyl)-, methanesulfonate

Structural Information

Molecular Formula
C17H16N2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCOC3=CC=C(C=C3)N
InChI
InChI=1S/C17H16N2O3/c18-12-6-8-13(9-7-12)22-11-3-10-19-16(20)14-4-1-2-5-15(14)17(19)21/h1-2,4-9H,3,10-11,18H2
InChIKey
SGFOGHSPQRYIEQ-UHFFFAOYSA-N
Compound name
2-[3-(4-aminophenoxy)propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

296.1161 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 168.7
[M+Na]+ 319.10532 181.3
[M+NH4]+ 314.14992 176.0
[M+K]+ 335.07926 176.0
[M-H]- 295.10882 172.2
[M+Na-2H]- 317.09077 174.5
[M]+ 296.11555 171.3
[M]- 296.11665 171.3
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