CID 13105518

Diphenylmethyl piperazinylbenzimidazole

Structural Information

Molecular Formula
C27H30N4
SMILES
C1CN(CCN1CCCN2C=NC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H30N4/c1-3-10-23(11-4-1)27(24-12-5-2-6-13-24)30-20-18-29(19-21-30)16-9-17-31-22-28-25-14-7-8-15-26(25)31/h1-8,10-15,22,27H,9,16-21H2
InChIKey
VLRBNROMVPJNJM-UHFFFAOYSA-N
Compound name
1-[3-(4-benzhydrylpiperazin-1-yl)propyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

58
Patents

410.24704 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.25432 202.3
[M+Na]+ 433.23626 206.0
[M-H]- 409.23976 208.6
[M+NH4]+ 428.28086 208.2
[M+K]+ 449.21020 197.0
[M+H-H2O]+ 393.24430 187.5
[M+HCOO]- 455.24524 215.3
[M+CH3COO]- 469.26089 208.4
[M+Na-2H]- 431.22171 202.9
[M]+ 410.24649 198.5
[M]- 410.24759 198.5
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

patents stripe