CID 414775

3708-68-7

Structural Information

Molecular Formula
C19H20N4
SMILES
CC1=CC2=C(C=C1C)N=C(N2)CC3=NC4=C(N3)C=C(C(=C4)C)C
InChI
InChI=1S/C19H20N4/c1-10-5-14-15(6-11(10)2)21-18(20-14)9-19-22-16-7-12(3)13(4)8-17(16)23-19/h5-8H,9H2,1-4H3,(H,20,21)(H,22,23)
InChIKey
BMTYNKWFBUDWAH-UHFFFAOYSA-N
Compound name
2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]-5,6-dimethyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

304.1688 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17608 174.6
[M+Na]+ 327.15802 191.5
[M+NH4]+ 322.20262 182.5
[M+K]+ 343.13196 186.7
[M-H]- 303.16152 177.6
[M+Na-2H]- 325.14347 181.1
[M]+ 304.16825 178.1
[M]- 304.16935 178.1
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