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]+ 355.16524 182.9
[M+Na]+ 377.14718 189.6
[M-H]- 353.15068 191.5
[M+NH4]+ 372.19178 195.7
[M+K]+ 393.12112 185.4
[M+H-H2O]+ 337.15522 173.3
[M+HCOO]- 399.15616 205.3
[M+CH3COO]- 413.17181 216.7
[M+Na-2H]- 375.13263 182.7
[M]+ 354.15741 185.3
[M]- 354.15851 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.