CID 3071506

1-nicotinoyl-4-phenyl-2-pyrrolidinone

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1C(CN(C1=O)C(=O)C2=CN=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O2/c19-15-9-14(12-5-2-1-3-6-12)11-18(15)16(20)13-7-4-8-17-10-13/h1-8,10,14H,9,11H2
InChIKey
XDIBPFPBFNGMGH-UHFFFAOYSA-N
Compound name
4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1
Patents

266.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 161.7
[M+Na]+ 289.09475 175.4
[M+NH4]+ 284.13935 169.3
[M+K]+ 305.06869 170.1
[M-H]- 265.09825 166.0
[M+Na-2H]- 287.08020 170.5
[M]+ 266.10498 164.7
[M]- 266.10608 164.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe