CID 3076809

1-(4-methyl-2-pyridinyl)-3-phenyl-2,5-pyrrolidinedione

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC1=CC(=NC=C1)N2C(=O)CC(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O2/c1-11-7-8-17-14(9-11)18-15(19)10-13(16(18)20)12-5-3-2-4-6-12/h2-9,13H,10H2,1H3
InChIKey
LCCMBWLMEQAMMH-UHFFFAOYSA-N
Compound name
1-(4-methylpyridin-2-yl)-3-phenylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 160.2
[M+Na]+ 289.09475 169.3
[M-H]- 265.09825 167.9
[M+NH4]+ 284.13935 175.7
[M+K]+ 305.06869 164.4
[M+H-H2O]+ 249.10279 151.0
[M+HCOO]- 311.10373 181.3
[M+CH3COO]- 325.11938 172.5
[M+Na-2H]- 287.08020 161.9
[M]+ 266.10498 159.3
[M]- 266.10608 159.3
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

No patent data available for this compound.