CID 62017376

1-benzyl-4-(3,4-dichlorophenyl)-1h-imidazol-5-amine

Structural Information

Molecular Formula
C16H13Cl2N3
SMILES
C1=CC=C(C=C1)CN2C=NC(=C2N)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H13Cl2N3/c17-13-7-6-12(8-14(13)18)15-16(19)21(10-20-15)9-11-4-2-1-3-5-11/h1-8,10H,9,19H2
InChIKey
HFUHUGRDWPZSPJ-UHFFFAOYSA-N
Compound name
3-benzyl-5-(3,4-dichlorophenyl)imidazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.04865 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05593 172.0
[M+Na]+ 340.03787 189.2
[M+NH4]+ 335.08247 181.1
[M+K]+ 356.01181 180.9
[M-H]- 316.04137 178.2
[M+Na-2H]- 338.02332 182.4
[M]+ 317.04810 176.9
[M]- 317.04920 176.9
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.