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]+ 295.107706 166.2
[M+Na]+ 317.089648 174.9
[M-H]- 293.093154 173.2
[M+NH4]+ 312.134253 182.8
[M+K]+ 333.063588 170.3
[M+H-H2O]+ 277.097690 158.3
[M+HCOO]- 339.098631 188.6
[M+CH3COO]- 353.114281 205.2
[M+Na-2H]- 315.075096 168.8
[M]+ 294.09988142 167.3
[M]- 294.10097858 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.