CID 492643

N-(4-tert-butylbenzyl)-n-(naphthalen-1-ylmethyl)-1h-1,2,4-triazol-4-amine

Structural Information

Molecular Formula
C24H28N4
SMILES
CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC=CC3=CC=CC=C32)N4CNN=C4
InChI
InChI=1S/C24H28N4/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/h4-14,17,26H,15-16,18H2,1-3H3
InChIKey
RSMRATCWUZJMDF-UHFFFAOYSA-N
Compound name
N-[(4-tert-butylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-1,5-dihydro-1,2,4-triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.23138 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.23866 193.9
[M+Na]+ 395.22060 198.6
[M-H]- 371.22410 199.8
[M+NH4]+ 390.26520 203.7
[M+K]+ 411.19454 191.8
[M+H-H2O]+ 355.22864 182.3
[M+HCOO]- 417.22958 209.5
[M+CH3COO]- 431.24523 201.9
[M+Na-2H]- 393.20605 197.1
[M]+ 372.23083 192.2
[M]- 372.23193 192.2
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.