CID 337752

80477-76-5

Structural Information

Molecular Formula
C20H18N4
SMILES
CC1=CC2=C(C=C1)N(C(=N2)C3=CC=CC=N3)CCC4=CC=CC=N4
InChI
InChI=1S/C20H18N4/c1-15-8-9-19-18(14-15)23-20(17-7-3-5-12-22-17)24(19)13-10-16-6-2-4-11-21-16/h2-9,11-12,14H,10,13H2,1H3
InChIKey
UDDHXFLTHLASTM-UHFFFAOYSA-N
Compound name
5-methyl-2-pyridin-2-yl-1-(2-pyridin-2-ylethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.15314 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.16042 176.6
[M+Na]+ 337.14236 186.9
[M-H]- 313.14586 182.3
[M+NH4]+ 332.18696 188.1
[M+K]+ 353.11630 178.9
[M+H-H2O]+ 297.15040 164.5
[M+HCOO]- 359.15134 196.4
[M+CH3COO]- 373.16699 187.2
[M+Na-2H]- 335.12781 182.2
[M]+ 314.15259 178.8
[M]- 314.15369 178.8
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.