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]+ 297.123376 167.3
[M+Na]+ 319.105318 175.9
[M-H]- 295.108824 173.5
[M+NH4]+ 314.149923 183.6
[M+K]+ 335.079258 171.0
[M+H-H2O]+ 279.113360 159.1
[M+HCOO]- 341.114301 189.8
[M+CH3COO]- 355.129951 205.1
[M+Na-2H]- 317.090766 170.0
[M]+ 296.11555142 168.8
[M]- 296.11664858 168.8
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