CID 721301

76492-00-7

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CC1=CC=CC=C1NC(=O)CN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14N2O3/c1-11-6-2-5-9-14(11)18-15(20)10-19-16(21)12-7-3-4-8-13(12)17(19)22/h2-9H,10H2,1H3,(H,18,20)
InChIKey
OZERPSPIYIMTSH-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
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

patents stripe