CID 1202667

442631-28-9

Structural Information

Molecular Formula
C17H15FN4OS2
SMILES
C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)C3=CC=CS3
InChI
InChI=1S/C17H15FN4OS2/c1-2-8-22-16(14-7-4-9-24-14)20-21-17(22)25-11-15(23)19-13-6-3-5-12(18)10-13/h2-7,9-10H,1,8,11H2,(H,19,23)
InChIKey
CJVDVYSATULFKA-UHFFFAOYSA-N
Compound name
N-(3-fluorophenyl)-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.06714 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.07442 182.2
[M+Na]+ 397.05636 193.5
[M-H]- 373.05986 188.5
[M+NH4]+ 392.10096 195.2
[M+K]+ 413.03030 185.8
[M+H-H2O]+ 357.06440 173.6
[M+HCOO]- 419.06534 195.8
[M+CH3COO]- 433.08099 192.8
[M+Na-2H]- 395.04181 179.0
[M]+ 374.06659 187.1
[M]- 374.06769 187.1
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.