CID 9604811

(ne)-1-[(e)-cinnamyl]-n-ethylidene-5-phenyl-1,2,4-triazole-3-carboxamidine

Structural Information

Molecular Formula
C20H19N5
SMILES
CC=NC(=N)C1=NN(C(=N1)C2=CC=CC=C2)C/C=C/C3=CC=CC=C3
InChI
InChI=1S/C20H19N5/c1-2-22-18(21)19-23-20(17-13-7-4-8-14-17)25(24-19)15-9-12-16-10-5-3-6-11-16/h2-14,21H,15H2,1H3/b12-9+,21-18?,22-2?
InChIKey
SWVNTXUDZYAVCV-SSZQAOEDSA-N
Compound name
N-ethylidene-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16403 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17131 180.4
[M+Na]+ 352.15325 186.9
[M-H]- 328.15675 187.4
[M+NH4]+ 347.19785 191.6
[M+K]+ 368.12719 179.9
[M+H-H2O]+ 312.16129 168.5
[M+HCOO]- 374.16223 204.0
[M+CH3COO]- 388.17788 190.3
[M+Na-2H]- 350.13870 184.1
[M]+ 329.16348 179.6
[M]- 329.16458 179.6
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.