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

65
Patents

410.24704 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.254316 202.3
[M+Na]+ 433.236258 206.0
[M-H]- 409.239764 208.6
[M+NH4]+ 428.280863 208.2
[M+K]+ 449.210198 197.0
[M+H-H2O]+ 393.244300 187.5
[M+HCOO]- 455.245241 215.3
[M+CH3COO]- 469.260891 208.4
[M+Na-2H]- 431.221706 202.9
[M]+ 410.24649142 198.5
[M]- 410.24758858 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