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

3
Patents

335.1845 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19178 180.8
[M+Na]+ 358.17372 185.9
[M-H]- 334.17722 184.6
[M+NH4]+ 353.21832 191.1
[M+K]+ 374.14766 182.3
[M+H-H2O]+ 318.18176 170.5
[M+HCOO]- 380.18270 194.3
[M+CH3COO]- 394.19835 207.8
[M+Na-2H]- 356.15917 177.9
[M]+ 335.18395 178.5
[M]- 335.18505 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