CID 204542

16573-28-7

Structural Information

Molecular Formula
C18H22N2O2
SMILES
C1CCC(CC1)N2CCC(C2)N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H22N2O2/c21-17-15-8-4-5-9-16(15)18(22)20(17)14-10-11-19(12-14)13-6-2-1-3-7-13/h4-5,8-9,13-14H,1-3,6-7,10-12H2
InChIKey
MAJJVEVRIFJAPM-UHFFFAOYSA-N
Compound name
2-(1-cyclohexylpyrrolidin-3-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

298.16812 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 172.9
[M+Na]+ 321.15734 183.5
[M+NH4]+ 316.20194 181.1
[M+K]+ 337.13128 180.1
[M-H]- 297.16084 177.0
[M+Na-2H]- 319.14279 177.0
[M]+ 298.16757 175.3
[M]- 298.16867 175.3
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

patents stripe