CID 469128

1-(4-tert-butylbenzyl)-5,6-dichloro-1h-benzimidazol-2-amine

Structural Information

Molecular Formula
C18H19Cl2N3
SMILES
CC(C)(C)C1=CC=C(C=C1)CN2C3=CC(=C(C=C3N=C2N)Cl)Cl
InChI
InChI=1S/C18H19Cl2N3/c1-18(2,3)12-6-4-11(5-7-12)10-23-16-9-14(20)13(19)8-15(16)22-17(23)21/h4-9H,10H2,1-3H3,(H2,21,22)
InChIKey
CJDUEHKMZDFLBE-UHFFFAOYSA-N
Compound name
1-[(4-tert-butylphenyl)methyl]-5,6-dichlorobenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.0956 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10288 184.9
[M+Na]+ 370.08482 197.3
[M-H]- 346.08832 189.8
[M+NH4]+ 365.12942 200.2
[M+K]+ 386.05876 188.8
[M+H-H2O]+ 330.09286 177.2
[M+HCOO]- 392.09380 195.9
[M+CH3COO]- 406.10945 195.9
[M+Na-2H]- 368.07027 187.0
[M]+ 347.09505 190.3
[M]- 347.09615 190.3
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.