CID 6475895

(4-tert-butyl-benzyl)-((e)-3-phenyl-allyl)-[1,2,4]triazol-1-yl-amine

Structural Information

Molecular Formula
C22H26N4
SMILES
CC(C)(C)C1=CC=C(C=C1)CN(C/C=C/C2=CC=CC=C2)N3C=NC=N3
InChI
InChI=1S/C22H26N4/c1-22(2,3)21-13-11-20(12-14-21)16-25(26-18-23-17-24-26)15-7-10-19-8-5-4-6-9-19/h4-14,17-18H,15-16H2,1-3H3/b10-7+
InChIKey
AJNSBPBMHACMIC-JXMROGBWSA-N
Compound name
N-[(4-tert-butylphenyl)methyl]-N-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.21576 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.22304 187.7
[M+Na]+ 369.20498 192.9
[M-H]- 345.20848 194.2
[M+NH4]+ 364.24958 198.4
[M+K]+ 385.17892 187.2
[M+H-H2O]+ 329.21302 176.0
[M+HCOO]- 391.21396 207.4
[M+CH3COO]- 405.22961 217.2
[M+Na-2H]- 367.19043 191.1
[M]+ 346.21521 188.6
[M]- 346.21631 188.6
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.