CID 832488

N-((1,3-dioxoisoindolin-2-yl)methyl)-n-(3-fluorophenyl)acetamide

Structural Information

Molecular Formula
C17H13FN2O3
SMILES
CC(=O)N(CN1C(=O)C2=CC=CC=C2C1=O)C3=CC(=CC=C3)F
InChI
InChI=1S/C17H13FN2O3/c1-11(21)19(13-6-4-5-12(18)9-13)10-20-16(22)14-7-2-3-8-15(14)17(20)23/h2-9H,10H2,1H3
InChIKey
VRXRIQAKYLJQOD-UHFFFAOYSA-N
Compound name
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09103 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09831 169.0
[M+Na]+ 335.08025 177.7
[M-H]- 311.08375 175.9
[M+NH4]+ 330.12485 185.3
[M+K]+ 351.05419 174.1
[M+H-H2O]+ 295.08829 159.9
[M+HCOO]- 357.08923 190.7
[M+CH3COO]- 371.10488 211.1
[M+Na-2H]- 333.06570 170.2
[M]+ 312.09048 170.3
[M]- 312.09158 170.3
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.