CID 3077935

Brn 4758707

Structural Information

Molecular Formula
C19H19NO3
SMILES
CCOC1CCC(=O)N1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H19NO3/c1-2-23-18-13-12-17(21)20(18)19(22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3
InChIKey
PWGYKXDHSUWQOP-UHFFFAOYSA-N
Compound name
5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

309.1365 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 173.8
[M+Na]+ 332.12572 187.1
[M+NH4]+ 327.17032 181.2
[M+K]+ 348.09966 181.5
[M-H]- 308.12922 178.5
[M+Na-2H]- 330.11117 181.7
[M]+ 309.13595 176.9
[M]- 309.13705 176.9
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

patents stripe