CID 484470

Chembl478648

Structural Information

Molecular Formula
C21H17Cl2N3
SMILES
C1=CC=C2C(=C1)C=CC=C2CN(CC3=C(C=C(C=C3)Cl)Cl)N4C=CN=C4
InChI
InChI=1S/C21H17Cl2N3/c22-19-9-8-18(21(23)12-19)14-26(25-11-10-24-15-25)13-17-6-3-5-16-4-1-2-7-20(16)17/h1-12,15H,13-14H2
InChIKey
LNOODNNXCHRHJO-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenyl)methyl]-N-(naphthalen-1-ylmethyl)imidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

381.07996 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.08724 189.3
[M+Na]+ 404.06918 199.4
[M-H]- 380.07268 197.6
[M+NH4]+ 399.11378 202.4
[M+K]+ 420.04312 190.8
[M+H-H2O]+ 364.07722 178.4
[M+HCOO]- 426.07816 203.1
[M+CH3COO]- 440.09381 199.6
[M+Na-2H]- 402.05463 192.9
[M]+ 381.07941 195.3
[M]- 381.08051 195.3
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.