CID 484456

Chembl490387

Structural Information

Molecular Formula
C26H28N4
SMILES
CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C3=CC=CC=C3)N4C=NN=C4
InChI
InChI=1S/C26H28N4/c1-26(2,3)25-15-11-22(12-16-25)18-29(30-19-27-28-20-30)17-21-9-13-24(14-10-21)23-7-5-4-6-8-23/h4-16,19-20H,17-18H2,1-3H3
InChIKey
GSUMOJONGDIKIT-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylphenyl)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

396.23138 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.23866 199.9
[M+Na]+ 419.22060 205.0
[M-H]- 395.22410 209.5
[M+NH4]+ 414.26520 208.0
[M+K]+ 435.19454 198.3
[M+H-H2O]+ 379.22864 186.9
[M+HCOO]- 441.22958 219.0
[M+CH3COO]- 455.24523 208.4
[M+Na-2H]- 417.20605 202.7
[M]+ 396.23083 200.5
[M]- 396.23193 200.5
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.