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 176.7
[M+Na]+ 340.16317 181.9
[M-H]- 316.16667 181.5
[M+NH4]+ 335.20777 188.2
[M+K]+ 356.13711 177.8
[M+H-H2O]+ 300.17121 166.0
[M+HCOO]- 362.17215 191.8
[M+CH3COO]- 376.18780 205.9
[M+Na-2H]- 338.14862 174.8
[M]+ 317.17340 173.7
[M]- 317.17450 173.7
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.