CID 3071965

2,5-pyrrolidinedione, 1-cyclohexyl-3-phenyl-

Structural Information

Molecular Formula
C16H19NO2
SMILES
C1CCC(CC1)N2C(=O)CC(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H19NO2/c18-15-11-14(12-7-3-1-4-8-12)16(19)17(15)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChIKey
AAQHKLOKUPVTJI-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-phenylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 160.2
[M+Na]+ 280.130788 165.3
[M-H]- 256.134294 167.7
[M+NH4]+ 275.175393 176.9
[M+K]+ 296.104728 161.2
[M+H-H2O]+ 240.138830 151.7
[M+HCOO]- 302.139771 178.3
[M+CH3COO]- 316.155421 194.1
[M+Na-2H]- 278.116236 159.7
[M]+ 257.14102142 154.1
[M]- 257.14211858 154.1
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

No patent data available for this compound.