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 153.9
[M+Na]+ 269.08967 162.2
[M-H]- 245.09317 157.3
[M+NH4]+ 264.13427 172.7
[M+K]+ 285.06361 159.0
[M+H-H2O]+ 229.09771 147.3
[M+HCOO]- 291.09865 176.3
[M+CH3COO]- 305.11430 196.0
[M+Na-2H]- 267.07512 157.0
[M]+ 246.09990 155.8
[M]- 246.10100 155.8
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