CID 796797

1,1'-(1,4-piperazinediylbis(methylene))bis-1h-benzimidazole

Structural Information

Molecular Formula
C20H22N6
SMILES
C1CN(CCN1CN2C=NC3=CC=CC=C32)CN4C=NC5=CC=CC=C54
InChI
InChI=1S/C20H22N6/c1-3-7-19-17(5-1)21-13-25(19)15-23-9-11-24(12-10-23)16-26-14-22-18-6-2-4-8-20(18)26/h1-8,13-14H,9-12,15-16H2
InChIKey
IPDHNRHKIJHHIR-UHFFFAOYSA-N
Compound name
1-[[4-(benzimidazol-1-ylmethyl)piperazin-1-yl]methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

346.19058 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.19786 182.9
[M+Na]+ 369.17980 192.2
[M-H]- 345.18330 186.9
[M+NH4]+ 364.22440 192.8
[M+K]+ 385.15374 184.1
[M+H-H2O]+ 329.18784 169.7
[M+HCOO]- 391.18878 197.7
[M+CH3COO]- 405.20443 191.6
[M+Na-2H]- 367.16525 185.2
[M]+ 346.19003 183.0
[M]- 346.19113 183.0
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