CID 484476

Chembl490388

Structural Information

Molecular Formula
C22H18Cl2N4
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CN(CC3=C(C=C(C=C3)Cl)Cl)N4C=NN=C4
InChI
InChI=1S/C22H18Cl2N4/c23-21-11-10-20(22(24)12-21)14-27(28-15-25-26-16-28)13-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-12,15-16H,13-14H2
InChIKey
WOUHJMVFLQEHCW-UHFFFAOYSA-N
Compound name
N-[(2,4-dichlorophenyl)methyl]-N-[(4-phenylphenyl)methyl]-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

408.09085 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.09813 195.8
[M+Na]+ 431.08007 204.1
[M-H]- 407.08357 204.4
[M+NH4]+ 426.12467 204.8
[M+K]+ 447.05401 195.4
[M+H-H2O]+ 391.08811 182.6
[M+HCOO]- 453.08905 207.8
[M+CH3COO]- 467.10470 204.6
[M+Na-2H]- 429.06552 197.4
[M]+ 408.09030 199.7
[M]- 408.09140 199.7
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.