CID 249759

2-(3-phenoxypropyl)isoindoline-1,3-dione

Structural Information

Molecular Formula
C17H15NO3
SMILES
C1=CC=C(C=C1)OCCCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H15NO3/c19-16-14-9-4-5-10-15(14)17(20)18(16)11-6-12-21-13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2
InChIKey
IDTXXTLDITWTDQ-UHFFFAOYSA-N
Compound name
2-(3-phenoxypropyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

22
Patents

281.1052 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 163.5
[M+Na]+ 304.09442 172.2
[M-H]- 280.09792 169.9
[M+NH4]+ 299.13902 180.8
[M+K]+ 320.06836 167.6
[M+H-H2O]+ 264.10246 155.4
[M+HCOO]- 326.10340 185.7
[M+CH3COO]- 340.11905 199.4
[M+Na-2H]- 302.07987 167.2
[M]+ 281.10465 166.2
[M]- 281.10575 166.2
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