CID 484461

Chembl491825

Structural Information

Molecular Formula
C21H23Cl2N3
SMILES
CC(C)(C)C1=CC=C(C=C1)CN(CC2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3
InChI
InChI=1S/C21H23Cl2N3/c1-21(2,3)18-7-4-16(5-8-18)13-26(25-11-10-24-15-25)14-17-6-9-19(22)12-20(17)23/h4-12,15H,13-14H2,1-3H3
InChIKey
VLXASESXHIWYSA-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylphenyl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

387.1269 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.13418 195.2
[M+Na]+ 410.11612 203.4
[M-H]- 386.11962 202.7
[M+NH4]+ 405.16072 207.5
[M+K]+ 426.09006 196.0
[M+H-H2O]+ 370.12416 184.9
[M+HCOO]- 432.12510 206.4
[M+CH3COO]- 446.14075 222.7
[M+Na-2H]- 408.10157 195.9
[M]+ 387.12635 200.3
[M]- 387.12745 200.3
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.