CID 71350000

174841-32-8

Structural Information

Molecular Formula
C19H24N4
SMILES
CN1CN(C2=CC=CC=C21)CCCN3CN(C4=CC=CC=C43)C
InChI
InChI=1S/C19H24N4/c1-20-14-22(18-10-5-3-8-16(18)20)12-7-13-23-15-21(2)17-9-4-6-11-19(17)23/h3-6,8-11H,7,12-15H2,1-2H3
InChIKey
HGGHAJIKZXEDLX-UHFFFAOYSA-N
Compound name
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)propyl]-2H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.2001 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.20738 178.3
[M+Na]+ 331.18932 186.8
[M-H]- 307.19282 181.5
[M+NH4]+ 326.23392 193.5
[M+K]+ 347.16326 180.5
[M+H-H2O]+ 291.19736 167.9
[M+HCOO]- 353.19830 193.8
[M+CH3COO]- 367.21395 188.1
[M+Na-2H]- 329.17477 177.8
[M]+ 308.19955 178.8
[M]- 308.20065 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.