CID 294857

5,5',6,6'-tetramethyl-2,2'-bibenzimidazole

Structural Information

Molecular Formula
C18H18N4
SMILES
CC1=CC2=C(C=C1C)N=C(N2)C3=NC4=C(N3)C=C(C(=C4)C)C
InChI
InChI=1S/C18H18N4/c1-9-5-13-14(6-10(9)2)20-17(19-13)18-21-15-7-11(3)12(4)8-16(15)22-18/h5-8H,1-4H3,(H,19,20)(H,21,22)
InChIKey
AYLFRALKOSNVDH-UHFFFAOYSA-N
Compound name
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dimethyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

85
Patents

290.15314 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.160416 171.6
[M+Na]+ 313.142358 185.7
[M-H]- 289.145864 175.0
[M+NH4]+ 308.186963 187.3
[M+K]+ 329.116298 177.1
[M+H-H2O]+ 273.150400 163.4
[M+HCOO]- 335.151341 190.2
[M+CH3COO]- 349.166991 183.5
[M+Na-2H]- 311.127806 173.6
[M]+ 290.15259142 175.1
[M]- 290.15368858 175.1
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