CID 2113511

852230-33-2

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=O)CCC3=O
InChI
InChI=1S/C19H20N2O3/c1-13-10-16(17(22)12-21-18(23)8-9-19(21)24)14(2)20(13)11-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3
InChIKey
JRESCQKIRPOOEM-UHFFFAOYSA-N
Compound name
1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

22
Patents

324.1474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.154676 176.3
[M+Na]+ 347.136618 184.4
[M-H]- 323.140124 184.3
[M+NH4]+ 342.181223 191.3
[M+K]+ 363.110558 180.0
[M+H-H2O]+ 307.144660 167.9
[M+HCOO]- 369.145601 196.6
[M+CH3COO]- 383.161251 209.3
[M+Na-2H]- 345.122066 172.2
[M]+ 324.14685142 177.9
[M]- 324.14794858 177.9
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