CID 3076807

3-phenyl-1-(3-pyridinylmethyl)-2,5-pyrrolidinedione

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1C(C(=O)N(C1=O)CC2=CN=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O2/c19-15-9-14(13-6-2-1-3-7-13)16(20)18(15)11-12-5-4-8-17-10-12/h1-8,10,14H,9,11H2
InChIKey
GCTIDCUYRLPLSW-UHFFFAOYSA-N
Compound name
3-phenyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 161.9
[M+Na]+ 289.09475 176.4
[M+NH4]+ 284.13935 169.7
[M+K]+ 305.06869 170.4
[M-H]- 265.09825 166.5
[M+Na-2H]- 287.08020 170.8
[M]+ 266.10498 165.2
[M]- 266.10608 165.2
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.

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No patent data available for this compound.