CID 49767818

2-[1-methyl-2-oxo-3-(4-phenylpiperazin-1-yl)propyl]isoindoline-1,3-dione

Structural Information

Molecular Formula
C22H23N3O3
SMILES
CC(C(=O)CN1CCN(CC1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C22H23N3O3/c1-16(25-21(27)18-9-5-6-10-19(18)22(25)28)20(26)15-23-11-13-24(14-12-23)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3
InChIKey
CMOPDXFYJUFJDS-UHFFFAOYSA-N
Compound name
2-[3-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.17395 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18123 191.6
[M+Na]+ 400.16317 196.4
[M-H]- 376.16667 197.3
[M+NH4]+ 395.20777 201.0
[M+K]+ 416.13711 190.8
[M+H-H2O]+ 360.17121 180.4
[M+HCOO]- 422.17215 204.2
[M+CH3COO]- 436.18780 199.3
[M+Na-2H]- 398.14862 188.7
[M]+ 377.17340 188.4
[M]- 377.17450 188.4
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

No patent data available for this compound.