CID 52943

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

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CCNC(=O)CN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C12H12N2O3/c1-2-13-10(15)7-14-11(16)8-5-3-4-6-9(8)12(14)17/h3-6H,2,7H2,1H3,(H,13,15)
InChIKey
UKUUGNZWUVOVHB-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

232.0848 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 149.3
[M+Na]+ 255.07402 158.0
[M-H]- 231.07752 152.9
[M+NH4]+ 250.11862 168.7
[M+K]+ 271.04796 155.1
[M+H-H2O]+ 215.08206 142.8
[M+HCOO]- 277.08300 172.0
[M+CH3COO]- 291.09865 193.0
[M+Na-2H]- 253.05947 152.9
[M]+ 232.08425 150.8
[M]- 232.08535 150.8
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