CID 1591542

N-allyl-2-(1,3-dioxoisoindolin-2-yl)acetamide

Structural Information

Molecular Formula
C13H12N2O3
SMILES
C=CCNC(=O)CN1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C13H12N2O3/c1-2-7-14-11(16)8-15-12(17)9-5-3-4-6-10(9)13(15)18/h2-6H,1,7-8H2,(H,14,16)
InChIKey
YFQAAIRXDMUCAW-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

244.0848 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 152.7
[M+Na]+ 267.07402 161.2
[M-H]- 243.07752 156.1
[M+NH4]+ 262.11862 171.5
[M+K]+ 283.04796 157.5
[M+H-H2O]+ 227.08206 146.1
[M+HCOO]- 289.08300 175.2
[M+CH3COO]- 303.09865 195.2
[M+Na-2H]- 265.05947 155.8
[M]+ 244.08425 153.8
[M]- 244.08535 153.8
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