CID 3024507

Brn 0764484

Structural Information

Molecular Formula
C21H23N3O3
SMILES
COC1=CC=C(C=C1)CN2CCN(CC2)CN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H23N3O3/c1-27-17-8-6-16(7-9-17)14-22-10-12-23(13-11-22)15-24-20(25)18-4-2-3-5-19(18)21(24)26/h2-9H,10-15H2,1H3
InChIKey
CWFWNLFZDHVYCP-UHFFFAOYSA-N
Compound name
2-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.17395 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18123 189.8
[M+Na]+ 388.16317 203.3
[M+NH4]+ 383.20777 196.4
[M+K]+ 404.13711 197.3
[M-H]- 364.16667 193.8
[M+Na-2H]- 386.14862 195.5
[M]+ 365.17340 192.7
[M]- 365.17450 192.7
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.