CID 5179365

6543-35-7

Structural Information

Molecular Formula
C16H12N2O3
SMILES
CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12N2O3/c1-10(19)17-11-6-8-12(9-7-11)18-15(20)13-4-2-3-5-14(13)16(18)21/h2-9H,1H3,(H,17,19)
InChIKey
LOYJIHSAFJFQBK-UHFFFAOYSA-N
Compound name
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.08478 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.092056 161.6
[M+Na]+ 303.073998 170.7
[M-H]- 279.077504 168.7
[M+NH4]+ 298.118603 178.8
[M+K]+ 319.047938 166.3
[M+H-H2O]+ 263.082040 153.9
[M+HCOO]- 325.082981 184.3
[M+CH3COO]- 339.098631 202.2
[M+Na-2H]- 301.059446 164.7
[M]+ 280.08423142 162.4
[M]- 280.08532858 162.4
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

No patent data available for this compound.