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]+ 366.181226 189.6
[M+Na]+ 388.163168 196.1
[M-H]- 364.166674 195.5
[M+NH4]+ 383.207773 200.1
[M+K]+ 404.137108 190.2
[M+H-H2O]+ 348.171210 178.1
[M+HCOO]- 410.172151 204.3
[M+CH3COO]- 424.187801 198.2
[M+Na-2H]- 386.148616 188.5
[M]+ 365.17340142 188.2
[M]- 365.17449858 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.