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 172.4
[M+Na]+ 321.15734 177.6
[M-H]- 297.16084 179.6
[M+NH4]+ 316.20194 188.9
[M+K]+ 337.13128 172.7
[M+H-H2O]+ 281.16538 163.5
[M+HCOO]- 343.16632 187.6
[M+CH3COO]- 357.18197 182.2
[M+Na-2H]- 319.14279 168.7
[M]+ 298.16757 166.1
[M]- 298.16867 166.1
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