CID 4431

Nan-190

Structural Information

Molecular Formula
C23H27N3O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
InChIKey
SJDOMIRMMUGQQK-UHFFFAOYSA-N
Compound name
2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

274
References

392
Patents

393.20523 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 198.6
[M+Na]+ 416.19445 211.7
[M+NH4]+ 411.23905 204.8
[M+K]+ 432.16839 205.2
[M-H]- 392.19795 202.5
[M+Na-2H]- 414.17990 203.8
[M]+ 393.20468 201.4
[M]- 393.20578 201.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe