CID 99350

5233-14-7

Structural Information

Molecular Formula
C22H26N4
SMILES
C1=CC=C2C(=C1)NC(=N2)CCCCCCCCC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C22H26N4/c1(3-5-15-21-23-17-11-7-8-12-18(17)24-21)2-4-6-16-22-25-19-13-9-10-14-20(19)26-22/h7-14H,1-6,15-16H2,(H,23,24)(H,25,26)
InChIKey
IHORDQFAOPQUJD-UHFFFAOYSA-N
Compound name
2-[8-(1H-benzimidazol-2-yl)octyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

346.21576 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.22304 184.5
[M+Na]+ 369.20498 193.0
[M-H]- 345.20848 185.5
[M+NH4]+ 364.24958 196.6
[M+K]+ 385.17892 183.7
[M+H-H2O]+ 329.21302 174.1
[M+HCOO]- 391.21396 201.8
[M+CH3COO]- 405.22961 193.3
[M+Na-2H]- 367.19043 187.6
[M]+ 346.21521 187.4
[M]- 346.21631 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe