CID 3874053

352666-08-1

Structural Information

Molecular Formula
C20H22N2O4
SMILES
CCCOC1=CC=CC=C1N2C(=O)CC(C2=O)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C20H22N2O4/c1-3-12-26-18-7-5-4-6-17(18)22-19(23)13-16(20(22)24)21-14-8-10-15(25-2)11-9-14/h4-11,16,21H,3,12-13H2,1-2H3
InChIKey
AUEWIIPGJDEWIS-UHFFFAOYSA-N
Compound name
3-(4-methoxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.15796 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.165236 182.9
[M+Na]+ 377.147178 189.6
[M-H]- 353.150684 191.5
[M+NH4]+ 372.191783 195.7
[M+K]+ 393.121118 185.4
[M+H-H2O]+ 337.155220 173.3
[M+HCOO]- 399.156161 205.3
[M+CH3COO]- 413.171811 216.7
[M+Na-2H]- 375.132626 182.7
[M]+ 354.15741142 185.3
[M]- 354.15850858 185.3
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.