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 172.4
[M+Na]+ 340.03787 183.2
[M-H]- 316.04137 178.6
[M+NH4]+ 335.08247 186.8
[M+K]+ 356.01181 174.7
[M+H-H2O]+ 300.04591 163.3
[M+HCOO]- 362.04685 185.8
[M+CH3COO]- 376.06250 183.5
[M+Na-2H]- 338.02332 174.0
[M]+ 317.04810 174.6
[M]- 317.04920 174.6
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.