CID 484462

Chembl452634

Structural Information

Molecular Formula
C20H22Cl2N4
SMILES
CC(C)(C)C1=CC=C(C=C1)CN(CC2=C(C=C(C=C2)Cl)Cl)N3C=NN=C3
InChI
InChI=1S/C20H22Cl2N4/c1-20(2,3)17-7-4-15(5-8-17)11-25(26-13-23-24-14-26)12-16-6-9-18(21)10-19(16)22/h4-10,13-14H,11-12H2,1-3H3
InChIKey
BTJFPJCURKSAIS-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylphenyl)methyl]-N-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

388.12216 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12944 194.1
[M+Na]+ 411.11138 202.6
[M-H]- 387.11488 200.4
[M+NH4]+ 406.15598 205.0
[M+K]+ 427.08532 195.3
[M+H-H2O]+ 371.11942 182.9
[M+HCOO]- 433.12036 204.2
[M+CH3COO]- 447.13601 203.3
[M+Na-2H]- 409.09683 195.4
[M]+ 388.12161 199.2
[M]- 388.12271 199.2
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.