CID 344672

2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-n-p-tolyl-acetamide

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14N2O3/c1-11-6-8-12(9-7-11)18-15(20)10-19-16(21)13-4-2-3-5-14(13)17(19)22/h2-9H,10H2,1H3,(H,18,20)
InChIKey
NFZRRFGMWBNVNY-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

294.10043 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 166.2
[M+Na]+ 317.08965 174.9
[M-H]- 293.09315 173.2
[M+NH4]+ 312.13425 182.8
[M+K]+ 333.06359 170.3
[M+H-H2O]+ 277.09769 158.3
[M+HCOO]- 339.09863 188.6
[M+CH3COO]- 353.11428 205.2
[M+Na-2H]- 315.07510 168.8
[M]+ 294.09988 167.3
[M]- 294.10098 167.3
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

No patent data available for this compound.