CID 3021873

91703-26-3

Structural Information

Molecular Formula
C17H25N3O4
SMILES
COC1=CC(=CC(=C1OC)OC)N2CCN(CC2)C3CCC(=O)N3
InChI
InChI=1S/C17H25N3O4/c1-22-13-10-12(11-14(23-2)17(13)24-3)19-6-8-20(9-7-19)15-4-5-16(21)18-15/h10-11,15H,4-9H2,1-3H3,(H,18,21)
InChIKey
CIQFQRJWSVVNOX-UHFFFAOYSA-N
Compound name
5-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

335.1845 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.191776 180.8
[M+Na]+ 358.173718 185.9
[M-H]- 334.177224 184.6
[M+NH4]+ 353.218323 191.1
[M+K]+ 374.147658 182.3
[M+H-H2O]+ 318.181760 170.5
[M+HCOO]- 380.182701 194.3
[M+CH3COO]- 394.198351 207.8
[M+Na-2H]- 356.159166 177.9
[M]+ 335.18395142 178.5
[M]- 335.18504858 178.5
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

patents stripe