CID 3087655

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

Structural Information

Molecular Formula
C28H26N4O2
SMILES
C1CN(CCC1C2=CC=CC=C2)CN3C4=CC=CC=C4N=C3CN5C(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C28H26N4O2/c33-27-22-10-4-5-11-23(22)28(34)31(27)18-26-29-24-12-6-7-13-25(24)32(26)19-30-16-14-21(15-17-30)20-8-2-1-3-9-20/h1-13,21H,14-19H2
InChIKey
SOTYHBAMZFMWJX-UHFFFAOYSA-N
Compound name
2-[[1-[(4-phenylpiperidin-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

450.20557 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.21285 211.9
[M+Na]+ 473.19479 219.2
[M-H]- 449.19829 221.2
[M+NH4]+ 468.23939 219.7
[M+K]+ 489.16873 210.2
[M+H-H2O]+ 433.20283 198.6
[M+HCOO]- 495.20377 225.4
[M+CH3COO]- 509.21942 219.1
[M+Na-2H]- 471.18024 208.2
[M]+ 450.20502 210.4
[M]- 450.20612 210.4
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.