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]+ 258.14885 160.2
[M+Na]+ 280.13079 165.3
[M-H]- 256.13429 167.7
[M+NH4]+ 275.17539 176.9
[M+K]+ 296.10473 161.2
[M+H-H2O]+ 240.13883 151.7
[M+HCOO]- 302.13977 178.3
[M+CH3COO]- 316.15542 194.1
[M+Na-2H]- 278.11624 159.7
[M]+ 257.14102 154.1
[M]- 257.14212 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.