CID 1991708

578723-61-2

Structural Information

Molecular Formula
C16H15FN4OS2
SMILES
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)C3=CC=CS3
InChI
InChI=1S/C16H15FN4OS2/c1-2-21-15(13-7-4-8-23-13)19-20-16(21)24-10-14(22)18-12-6-3-5-11(17)9-12/h3-9H,2,10H2,1H3,(H,18,22)
InChIKey
LIGZTRUIOJAOCE-UHFFFAOYSA-N
Compound name
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.06714 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.07442 177.9
[M+Na]+ 385.05636 189.4
[M-H]- 361.05986 184.4
[M+NH4]+ 380.10096 191.5
[M+K]+ 401.03030 182.5
[M+H-H2O]+ 345.06440 169.5
[M+HCOO]- 407.06534 191.7
[M+CH3COO]- 421.08099 189.0
[M+Na-2H]- 383.04181 175.3
[M]+ 362.06659 183.2
[M]- 362.06769 183.2
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.