CID 6887694

361165-35-7

Structural Information

Molecular Formula
C17H17N5O2S
SMILES
CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CO2)C3=CC=CC=C3
InChI
InChI=1S/C17H17N5O2S/c1-2-22-16(13-7-4-3-5-8-13)20-21-17(22)25-12-15(23)19-18-11-14-9-6-10-24-14/h3-11H,2,12H2,1H3,(H,19,23)/b18-11+
InChIKey
CTRCEGSLAUNYQO-WOJGMQOQSA-N
Compound name
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1103 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.117576 182.1
[M+Na]+ 378.099518 191.2
[M-H]- 354.103024 191.5
[M+NH4]+ 373.144123 194.0
[M+K]+ 394.073458 187.3
[M+H-H2O]+ 338.107560 172.5
[M+HCOO]- 400.108501 203.7
[M+CH3COO]- 414.124151 193.5
[M+Na-2H]- 376.084966 183.3
[M]+ 355.10975142 189.0
[M]- 355.11084858 189.0
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.