CID 3010974

N5,n5-bis(o-tolylmethyl)-3h-benzimidazole-2,5-diamine

Structural Information

Molecular Formula
C23H24N4
SMILES
CC1=CC=CC=C1CN(CC2=CC=CC=C2C)C3=CC4=C(C=C3)N=C(N4)N
InChI
InChI=1S/C23H24N4/c1-16-7-3-5-9-18(16)14-27(15-19-10-6-4-8-17(19)2)20-11-12-21-22(13-20)26-23(24)25-21/h3-13H,14-15H2,1-2H3,(H3,24,25,26)
InChIKey
FCOUHIZWUNJWOE-UHFFFAOYSA-N
Compound name
5-N,5-N-bis[(2-methylphenyl)methyl]-3H-benzimidazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.2001 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20738 187.3
[M+Na]+ 379.18932 195.1
[M-H]- 355.19282 195.5
[M+NH4]+ 374.23392 199.3
[M+K]+ 395.16326 187.5
[M+H-H2O]+ 339.19736 176.5
[M+HCOO]- 401.19830 209.5
[M+CH3COO]- 415.21395 197.3
[M+Na-2H]- 377.17477 190.4
[M]+ 356.19955 187.5
[M]- 356.20065 187.5
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

No patent data available for this compound.