CID 6886409

361165-24-4

Structural Information

Molecular Formula
C19H19N5OS
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H19N5OS/c1-2-24-18(16-11-7-4-8-12-16)22-23-19(24)26-14-17(25)21-20-13-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3,(H,21,25)/b20-13+
InChIKey
UCONNGOWJYECBT-DEDYPNTBSA-N
Compound name
N-[(E)-benzylideneamino]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

365.13104 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13832 184.9
[M+Na]+ 388.12026 197.6
[M+NH4]+ 383.16486 191.5
[M+K]+ 404.09420 189.5
[M-H]- 364.12376 190.3
[M+Na-2H]- 386.10571 194.3
[M]+ 365.13049 188.6
[M]- 365.13159 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.