CID 3813085

1-(4-methoxyphenyl)-3-(phenylamino)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C17H16N2O3
SMILES
COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC=CC=C3
InChI
InChI=1S/C17H16N2O3/c1-22-14-9-7-13(8-10-14)19-16(20)11-15(17(19)21)18-12-5-3-2-4-6-12/h2-10,15,18H,11H2,1H3
InChIKey
ZAIVRTOPQCCJKI-UHFFFAOYSA-N
Compound name
3-anilino-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1161 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.12338 166.6
[M+Na]+ 319.10532 174.1
[M-H]- 295.10882 175.5
[M+NH4]+ 314.14992 181.8
[M+K]+ 335.07926 169.8
[M+H-H2O]+ 279.11336 157.6
[M+HCOO]- 341.11430 190.0
[M+CH3COO]- 355.12995 204.3
[M+Na-2H]- 317.09077 168.6
[M]+ 296.11555 166.3
[M]- 296.11665 166.3
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.