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 189.6
[M+Na]+ 388.16317 196.1
[M-H]- 364.16667 195.5
[M+NH4]+ 383.20777 200.1
[M+K]+ 404.13711 190.2
[M+H-H2O]+ 348.17121 178.1
[M+HCOO]- 410.17215 204.3
[M+CH3COO]- 424.18780 198.2
[M+Na-2H]- 386.14862 188.5
[M]+ 365.17340 188.2
[M]- 365.17450 188.2
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.