CID 128769

2-oxo-3-(4-(1-oxo-2-isoindolinyl)phenyl)butanamide

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)C(=O)N
InChI
InChI=1S/C18H16N2O3/c1-11(16(21)17(19)22)12-6-8-14(9-7-12)20-10-13-4-2-3-5-15(13)18(20)23/h2-9,11H,10H2,1H3,(H2,19,22)
InChIKey
GQDWADHQLNKYRV-UHFFFAOYSA-N
Compound name
2-oxo-3-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

308.1161 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 171.3
[M+Na]+ 331.10532 177.8
[M-H]- 307.10882 177.3
[M+NH4]+ 326.14992 186.5
[M+K]+ 347.07926 173.8
[M+H-H2O]+ 291.11336 163.3
[M+HCOO]- 353.11430 190.6
[M+CH3COO]- 367.12995 208.9
[M+Na-2H]- 329.09077 170.7
[M]+ 308.11555 170.2
[M]- 308.11665 170.2
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