CID 516491

2,2'-methylenebis[5-(3,4,5,6-tetrahydropyridin-2-yl)-1h-benzimidazole]

Structural Information

Molecular Formula
C25H26N6
SMILES
C1CCN=C(C1)C2=CC3=C(C=C2)N=C(N3)CC4=NC5=C(N4)C=C(C=C5)C6=NCCCC6
InChI
InChI=1S/C25H26N6/c1-3-11-26-18(5-1)16-7-9-20-22(13-16)30-24(28-20)15-25-29-21-10-8-17(14-23(21)31-25)19-6-2-4-12-27-19/h7-10,13-14H,1-6,11-12,15H2,(H,28,30)(H,29,31)
InChIKey
WUJDNXWQPJDADX-UHFFFAOYSA-N
Compound name
6-(2,3,4,5-tetrahydropyridin-6-yl)-2-[[6-(2,3,4,5-tetrahydropyridin-6-yl)-1H-benzimidazol-2-yl]methyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.2219 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22918 197.4
[M+Na]+ 433.21112 204.6
[M-H]- 409.21462 201.8
[M+NH4]+ 428.25572 202.9
[M+K]+ 449.18506 193.6
[M+H-H2O]+ 393.21916 183.8
[M+HCOO]- 455.22010 207.3
[M+CH3COO]- 469.23575 203.5
[M+Na-2H]- 431.19657 197.0
[M]+ 410.22135 192.3
[M]- 410.22245 192.3
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.