CID 58226866

1202237-87-3

Structural Information

Molecular Formula
C17H15FN2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C[C@H](CC3=CC(=CC=C3)F)N
InChI
InChI=1S/C17H15FN2O2/c18-12-5-3-4-11(8-12)9-13(19)10-20-16(21)14-6-1-2-7-15(14)17(20)22/h1-8,13H,9-10,19H2/t13-/m0/s1
InChIKey
VMLDWVQVTSBBHQ-ZDUSSCGKSA-N
Compound name
2-[(2S)-2-amino-3-(3-fluorophenyl)propyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

298.11176 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11904 169.3
[M+Na]+ 321.10098 180.9
[M+NH4]+ 316.14558 176.1
[M+K]+ 337.07492 175.9
[M-H]- 297.10448 171.4
[M+Na-2H]- 319.08643 174.3
[M]+ 298.11121 171.2
[M]- 298.11231 171.2
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

patents stripe