CID 469130

Chembl281111

Structural Information

Molecular Formula
C15H13Cl2N3
SMILES
CC1=CC(=CC=C1)CN2C3=CC(=C(C=C3N=C2N)Cl)Cl
InChI
InChI=1S/C15H13Cl2N3/c1-9-3-2-4-10(5-9)8-20-14-7-12(17)11(16)6-13(14)19-15(20)18/h2-7H,8H2,1H3,(H2,18,19)
InChIKey
ZBWMSFZDBMZSSH-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-[(3-methylphenyl)methyl]benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.04865 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05593 168.9
[M+Na]+ 328.03787 182.3
[M-H]- 304.04137 173.7
[M+NH4]+ 323.08247 185.7
[M+K]+ 344.01181 173.9
[M+H-H2O]+ 288.04591 161.3
[M+HCOO]- 350.04685 182.6
[M+CH3COO]- 364.06250 181.1
[M+Na-2H]- 326.02332 171.9
[M]+ 305.04810 173.9
[M]- 305.04920 173.9
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.