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]+ 356.11758 182.1
[M+Na]+ 378.09952 191.2
[M-H]- 354.10302 191.5
[M+NH4]+ 373.14412 194.0
[M+K]+ 394.07346 187.3
[M+H-H2O]+ 338.10756 172.5
[M+HCOO]- 400.10850 203.7
[M+CH3COO]- 414.12415 193.5
[M+Na-2H]- 376.08497 183.3
[M]+ 355.10975 189.0
[M]- 355.11085 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.