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]+ 297.123376 166.6
[M+Na]+ 319.105318 174.1
[M-H]- 295.108824 175.5
[M+NH4]+ 314.149923 181.8
[M+K]+ 335.079258 169.8
[M+H-H2O]+ 279.113360 157.6
[M+HCOO]- 341.114301 190.0
[M+CH3COO]- 355.129951 204.3
[M+Na-2H]- 317.090766 168.6
[M]+ 296.11555142 166.3
[M]- 296.11664858 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.