CID 1989268

585557-82-0

Structural Information

Molecular Formula
C17H15F2N5OS
SMILES
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)F)F)C3=CC=CC=N3
InChI
InChI=1S/C17H15F2N5OS/c1-2-24-16(14-5-3-4-8-20-14)22-23-17(24)26-10-15(25)21-13-7-6-11(18)9-12(13)19/h3-9H,2,10H2,1H3,(H,21,25)
InChIKey
SPGFCSVKNQSEJV-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-2-[(4-ethyl-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

375.09653 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.10381 183.4
[M+Na]+ 398.08575 193.5
[M-H]- 374.08925 186.5
[M+NH4]+ 393.13035 192.4
[M+K]+ 414.05969 186.0
[M+H-H2O]+ 358.09379 171.4
[M+HCOO]- 420.09473 197.1
[M+CH3COO]- 434.11038 192.7
[M+Na-2H]- 396.07120 182.4
[M]+ 375.09598 185.2
[M]- 375.09708 185.2
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.