CID 1989590

577961-32-1

Structural Information

Molecular Formula
C18H16FN5OS
SMILES
C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC=CC=N3
InChI
InChI=1S/C18H16FN5OS/c1-2-11-24-17(15-9-5-6-10-20-15)22-23-18(24)26-12-16(25)21-14-8-4-3-7-13(14)19/h2-10H,1,11-12H2,(H,21,25)
InChIKey
SYQNBTYYUKOFKM-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.10596 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.11324 184.5
[M+Na]+ 392.09518 193.5
[M-H]- 368.09868 188.4
[M+NH4]+ 387.13978 193.4
[M+K]+ 408.06912 185.7
[M+H-H2O]+ 352.10322 173.0
[M+HCOO]- 414.10416 199.1
[M+CH3COO]- 428.11981 193.5
[M+Na-2H]- 390.08063 184.2
[M]+ 369.10541 186.3
[M]- 369.10651 186.3
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.