CID 52944

2-isoindolineacetamide, 1-3-dioxo-n-propyl-

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CCCNC(=O)CN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C13H14N2O3/c1-2-7-14-11(16)8-15-12(17)9-5-3-4-6-10(9)13(15)18/h3-6H,2,7-8H2,1H3,(H,14,16)
InChIKey
AKJUOSJWOKVRRD-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)-N-propylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

246.10045 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 155.4
[M+Na]+ 269.08967 165.5
[M+NH4]+ 264.13427 161.9
[M+K]+ 285.06361 161.9
[M-H]- 245.09317 155.7
[M+Na-2H]- 267.07512 158.3
[M]+ 246.09990 156.5
[M]- 246.10100 156.5
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