CID 5389074

N-(3-phenylallyl)phthalimide

Structural Information

Molecular Formula
C17H13NO2
SMILES
C1=CC=C(C=C1)/C=C/CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H13NO2/c19-16-14-10-4-5-11-15(14)17(20)18(16)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKey
AUDPOCGNHFKZBR-RMKNXTFCSA-N
Compound name
2-[(E)-3-phenylprop-2-enyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

263.09464 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10192 159.7
[M+Na]+ 286.08386 168.9
[M-H]- 262.08736 166.2
[M+NH4]+ 281.12846 177.8
[M+K]+ 302.05780 163.1
[M+H-H2O]+ 246.09190 151.8
[M+HCOO]- 308.09284 181.9
[M+CH3COO]- 322.10849 195.9
[M+Na-2H]- 284.06931 163.3
[M]+ 263.09409 160.2
[M]- 263.09519 160.2
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