CID 3022194

Brn 0761302

Structural Information

Molecular Formula
C17H23N3O3
SMILES
COC1=CC=C(C=C1)CN2CCN(CC2)CN3C(=O)CCC3=O
InChI
InChI=1S/C17H23N3O3/c1-23-15-4-2-14(3-5-15)12-18-8-10-19(11-9-18)13-20-16(21)6-7-17(20)22/h2-5H,6-13H2,1H3
InChIKey
DXRDKYRJQNJCNH-UHFFFAOYSA-N
Compound name
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.17395 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.18123 177.7
[M+Na]+ 340.16317 188.7
[M+NH4]+ 335.20777 183.6
[M+K]+ 356.13711 184.2
[M-H]- 316.16667 180.3
[M+Na-2H]- 338.14862 182.4
[M]+ 317.17340 179.6
[M]- 317.17450 179.6
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.