CID 3050265

66064-14-0

Structural Information

Molecular Formula
C17H22N2O5
SMILES
COC1=CC(=C(C=C1)C2CC(=O)N(C2=O)CN3CCOCC3)OC
InChI
InChI=1S/C17H22N2O5/c1-22-12-3-4-13(15(9-12)23-2)14-10-16(20)19(17(14)21)11-18-5-7-24-8-6-18/h3-4,9,14H,5-8,10-11H2,1-2H3
InChIKey
DFWUQMJBLDFCGQ-UHFFFAOYSA-N
Compound name
3-(2,4-dimethoxyphenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.15286 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16014 177.4
[M+Na]+ 357.14208 183.4
[M-H]- 333.14558 184.7
[M+NH4]+ 352.18668 188.5
[M+K]+ 373.11602 181.7
[M+H-H2O]+ 317.15012 168.0
[M+HCOO]- 379.15106 193.3
[M+CH3COO]- 393.16671 209.0
[M+Na-2H]- 355.12753 175.9
[M]+ 334.15231 177.8
[M]- 334.15341 177.8
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.