CID 5443916

361165-50-6

Structural Information

Molecular Formula
C18H19N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C(\C)/C2=CC=CO2)C3=CC=CC=C3
InChI
InChI=1S/C18H19N5O2S/c1-3-23-17(14-8-5-4-6-9-14)21-22-18(23)26-12-16(24)20-19-13(2)15-10-7-11-25-15/h4-11H,3,12H2,1-2H3,(H,20,24)/b19-13+
InChIKey
LSLPFXYDTRHKGL-CPNJWEJPSA-N
Compound name
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

369.12595 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.133226 187.2
[M+Na]+ 392.115168 195.5
[M-H]- 368.118674 196.6
[M+NH4]+ 387.159773 198.4
[M+K]+ 408.089108 192.0
[M+H-H2O]+ 352.123210 177.6
[M+HCOO]- 414.124151 207.5
[M+CH3COO]- 428.139801 198.0
[M+Na-2H]- 390.100616 187.0
[M]+ 369.12540142 194.0
[M]- 369.12649858 194.0
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.