CID 938203

587001-66-9

Structural Information

Molecular Formula
C16H15FN4O2S
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC=CO3
InChI
InChI=1S/C16H15FN4O2S/c1-2-21-15(13-8-5-9-23-13)19-20-16(21)24-10-14(22)18-12-7-4-3-6-11(12)17/h3-9H,2,10H2,1H3,(H,18,22)
InChIKey
MJWAXMAYAQBCKG-UHFFFAOYSA-N
Compound name
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.08997 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09725 176.8
[M+Na]+ 369.07919 187.5
[M-H]- 345.08269 184.1
[M+NH4]+ 364.12379 189.0
[M+K]+ 385.05313 183.2
[M+H-H2O]+ 329.08723 167.4
[M+HCOO]- 391.08817 195.1
[M+CH3COO]- 405.10382 188.3
[M+Na-2H]- 367.06464 176.0
[M]+ 346.08942 182.7
[M]- 346.09052 182.7
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.