CID 3087639

1h-isoindole-1,3(2h)-dione, 2-((1-((4-phenyl-1-piperazinyl)methyl)-1h-benzimidazol-2-yl)methyl)-

Structural Information

Molecular Formula
C27H25N5O2
SMILES
C1CN(CCN1CN2C3=CC=CC=C3N=C2CN4C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6
InChI
InChI=1S/C27H25N5O2/c33-26-21-10-4-5-11-22(21)27(34)31(26)18-25-28-23-12-6-7-13-24(23)32(25)19-29-14-16-30(17-15-29)20-8-2-1-3-9-20/h1-13H,14-19H2
InChIKey
GWGZHGYOVPYUCK-UHFFFAOYSA-N
Compound name
2-[[1-[(4-phenylpiperazin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.20084 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.20812 211.4
[M+Na]+ 474.19006 227.7
[M+NH4]+ 469.23466 218.0
[M+K]+ 490.16400 222.1
[M-H]- 450.19356 217.5
[M+Na-2H]- 472.17551 219.0
[M]+ 451.20029 215.5
[M]- 451.20139 215.5
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.