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

3
Patents

298.16812 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.175396 172.4
[M+Na]+ 321.157338 177.6
[M-H]- 297.160844 179.6
[M+NH4]+ 316.201943 188.9
[M+K]+ 337.131278 172.7
[M+H-H2O]+ 281.165380 163.5
[M+HCOO]- 343.166321 187.6
[M+CH3COO]- 357.181971 182.2
[M+Na-2H]- 319.142786 168.7
[M]+ 298.16757142 166.1
[M]- 298.16866858 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