CID 492642

Chembl491602

Structural Information

Molecular Formula
C24H26N4
SMILES
CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CC3=CC=CC=C32)N4C=NN=C4
InChI
InChI=1S/C24H26N4/c1-24(2,3)22-13-11-19(12-14-22)15-27(28-17-25-26-18-28)16-21-9-6-8-20-7-4-5-10-23(20)21/h4-14,17-18H,15-16H2,1-3H3
InChIKey
WLGSTVNPSKYNLO-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

370.21576 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.22304 193.6
[M+Na]+ 393.20498 200.8
[M-H]- 369.20848 201.5
[M+NH4]+ 388.24958 204.3
[M+K]+ 409.17892 194.2
[M+H-H2O]+ 353.21302 181.6
[M+HCOO]- 415.21396 213.4
[M+CH3COO]- 429.22961 203.1
[M+Na-2H]- 391.19043 198.9
[M]+ 370.21521 196.3
[M]- 370.21631 196.3
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.