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]+ 370.13323 187.2
[M+Na]+ 392.11517 195.5
[M-H]- 368.11867 196.6
[M+NH4]+ 387.15977 198.4
[M+K]+ 408.08911 192.0
[M+H-H2O]+ 352.12321 177.6
[M+HCOO]- 414.12415 207.5
[M+CH3COO]- 428.13980 198.0
[M+Na-2H]- 390.10062 187.0
[M]+ 369.12540 194.0
[M]- 369.12650 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.