CID 9604807

(ne)-1-benzyl-n-ethylidene-5-(p-tolyl)-1,2,4-triazole-3-carboxamidine

Structural Information

Molecular Formula
C19H19N5
SMILES
CC=NC(=N)C1=NN(C(=N1)C2=CC=C(C=C2)C)CC3=CC=CC=C3
InChI
InChI=1S/C19H19N5/c1-3-21-17(20)18-22-19(16-11-9-14(2)10-12-16)24(23-18)13-15-7-5-4-6-8-15/h3-12,20H,13H2,1-2H3
InChIKey
MBAMXXWOIXCPAZ-UHFFFAOYSA-N
Compound name
1-benzyl-N-ethylidene-5-(4-methylphenyl)-1,2,4-triazole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16403 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17131 177.2
[M+Na]+ 340.15325 184.8
[M-H]- 316.15675 184.8
[M+NH4]+ 335.19785 189.2
[M+K]+ 356.12719 178.5
[M+H-H2O]+ 300.16129 165.8
[M+HCOO]- 362.16223 201.0
[M+CH3COO]- 376.17788 187.9
[M+Na-2H]- 338.13870 180.6
[M]+ 317.16348 177.3
[M]- 317.16458 177.3
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.